Anti-infectives are drugs that can either kill an infectious agent or inhibit it from spreading. Anti-infectives include antibiotics and antibacterials, antifungals, antivirals and antiprotozoals.

Antibiotics specifically treat infections caused by bacteria, most commonly used types of antibiotics are: Aminoglycosides, Penicillins, Fluoroquinolones, Cephalosporins, Macrolides, and Tetracyclines. New other approaches such as photodynamic therapy (PDT) and antibacterial peptides have been considered as alternatives to kill bacteria.

The high rates of morbidity and mortality caused by fungal infections are associated with the current limited antifungal arsenal and the high toxicity of the compounds. The most common antifungal targets include fungal RNA synthesis and cell wall and membrane components, though new antifungal targets are being investigated.

Viral infections occur when viruses enter cells in the body and begin reproducing, often causing illness. Viruses are classified as DNA viruses or RNA viruses, RNA viruses include retroviruses, such as HIV, are prone to mutate. The currently available antiviral drugs target 4 main groups of viruses: herpes, hepatitis, HIV and influenza viruses. Drug resistance in the clinical utility of antiviral drugs has raised an urgent need for developing new antiviral drugs.

Antiprotozoal drugs are medicines that treat infections caused by protozoa. Of which, malaria remains a major world health problem following the emergence and spread of Plasmodium falciparum that is resistant to the majority of antimalarial drugs. At present, antimalarial discovery approaches have been studied, such as the discovery of antimalarials from natural sources, chemical modifications of existing antimalarials, the development of hybrid compounds, testing of commercially available drugs that have been approved for human use for other diseases and molecular modelling using virtual screening technology and docking.

References:
[1] Scorzoni L, et al. Front Microbiol. 2017 Jan 23;8:36.
[2] Dehghan Esmatabadi MJ, et al. Cell Mol Biol (Noisy-le-grand). 2017 Feb 28;63(2):40-48.
[3] Raymund R, et al. Mayo Clin Proc. 2011 Oct; 86(10):1009-1026.
[4] Aguiar AC, et al. Mem Inst Oswaldo Cruz. 2012 Nov;107(7):831-45.


Anti-infection >
Arenavirus Bacterial CMV Enterovirus Filovirus Fungal HBV HCV HIV HSV Influenza Virus Parasite Reverse Transcriptase RSV SARS-CoV
Antibody-drug Conjugate >
ADC Cytotoxin ADC Linker Drug-Linker Conjugates for ADC PROTAC-linker Conjugate for PAC
Apoptosis >
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Autophagy >
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Antifolate APC ATM/ATR Aurora Kinase Casein Kinase CDK Checkpoint Kinase (Chk) CRISPR/Cas9 Deubiquitinase DNA Alkylator/Crosslinker DNA-PK DNA/RNA Synthesis Eukaryotic Initiation Factor (eIF) G-quadruplex Haspin Kinase HDAC HSP IRE1 Kinesin LIM Kinase (LIMK) Microtubule/Tubulin Mps1 Nucleoside Antimetabolite/Analog p97 PAK PARP PERK Polo-like Kinase (PLK) PPAR RAD51 ROCK Sirtuin SRPK Telomerase TOPK Topoisomerase Wee1
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JAK/STAT Signaling >
EGFR JAK Pim STAT
MAPK/ERK Pathway >
ERK JNK KLF MAP3K MAP4K MAPKAPK2 (MK2) MEK Mixed Lineage Kinase MNK p38 MAPK Raf Ribosomal S6 Kinase (RSK)
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Metabolic Enzyme/Protease >
15-PGDH 5 alpha Reductase 5-Lipoxygenase Acetyl-CoA Carboxylase Acyltransferase Adenosine Deaminase Adenosine Kinase Aldehyde Dehydrogenase (ALDH) Aldose Reductase Aminopeptidase Angiotensin-converting Enzyme (ACE) ATGL ATP Citrate Lyase Carbonic Anhydrase Carboxypeptidase Cathepsin CETP COMT Cytochrome P450 Dipeptidyl Peptidase Dopamine β-hydroxylase E1/E2/E3 Enzyme Elastase Enolase FAAH FABP Factor Xa Farnesyl Transferase Fatty Acid Synthase (FAS) FXR Glucokinase GSNOR Gutathione S-transferase HCV Protease Hexokinase HIF/HIF Prolyl-Hydroxylase HIV Integrase HIV Protease HMG-CoA Reductase (HMGCR) HSP Indoleamine 2,3-Dioxygenase (IDO) Isocitrate Dehydrogenase (IDH) Lactate Dehydrogenase LXR MAGL Mineralocorticoid Receptor Mitochondrial Metabolism MMP Nampt NEDD8-activating Enzyme Neprilysin PAI-1 PDHK PGC-1α Phosphatase Phosphodiesterase (PDE) Phospholipase Procollagen C Proteinase Proteasome Pyruvate Kinase RAR/RXR Renin ROR Ser/Thr Protease SGK Stearoyl-CoA Desaturase (SCD) Thrombin Tryptophan Hydroxylase Tyrosinase Xanthine Oxidase
Neuronal Signaling >
5-HT Receptor AChE Adenosine Kinase Amyloid-β Beta-secretase CaMK CGRP Receptor COMT Dopamine Receptor Dopamine Transporter FAAH GABA Receptor GlyT iGluR Imidazoline Receptor mAChR Melatonin Receptor Monoamine Oxidase nAChR Neurokinin Receptor Opioid Receptor Serotonin Transporter γ-secretase
NF-κB >
NF-κB IKK Keap1-Nrf2 MALT1
PI3K/Akt/mTOR >
Akt AMPK ATM/ATR DNA-PK GSK-3 MELK mTOR PDK-1 PI3K PI4K PIKfyve PTEN
PROTAC >
PROTAC E3 Ligase Ligand-Linker Conjugate Ligand for E3 Ligase PROTAC Linker PROTAC-linker Conjugate for PAC
Protein Tyrosine Kinase/RTK >
Ack1 ALK Bcr-Abl BMX Kinase Btk c-Fms c-Kit c-Met/HGFR Discoidin Domain Receptor DYRK EGFR Ephrin Receptor FAK FGFR FLT3 IGF-1R Insulin Receptor IRAK Itk PDGFR PKA Pyk2 ROS Src Syk TAM Receptor Trk Receptor VEGFR
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Casein Kinase ERK Gli GSK-3 Hedgehog Hippo (MST) JAK Notch Oct3/4 PKA Porcupine ROCK sFRP-1 Smo STAT TGF-beta/Smad Wnt YAP β-catenin γ-secretase
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Vitamin D Related >
VD/VDR
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Lamivudine 13C,15N2

Lamivudine 13C,15N2 is a labelled impurity of Lamivudine (BCH-189). Lamivudine is a nucleoside reverse transcriptase inhibitors (NRTIs), and can inhibit HIV reverse transcriptase 1/2 and the reverse transcriptase of hepatitis B virus[1][2].

  • CAS Number: 1391052-30-4
  • MF: C713CH9N15N2O4S
  • MW: 246.22
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Chamaechromone

Chamaechromone is a biflavonoid ingredient isolated from the roots of Stellera chamaejasme L. (Thymelaeaceae). Chamaechromone possesses anti-hepatitis B virus (HBV) effects against the surface antigen of HBV (HBsAg) secretion and has insecticidal activities[1].

  • CAS Number: 93413-00-4
  • MF: C30H22O10
  • MW: 542.490
  • Catalog: HBV
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 906.4±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 304.2±27.8 °C

Magainin 1

Magainin 1 is an antimicrobial peptide discovered in the skin of Xenopus laevis.

  • CAS Number: 108433-99-4
  • MF: C112H177N29O28S
  • MW: 2409.85000
  • Catalog: Peptides
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sarafloxacin

Sarafloxacin (A-56620) is a fluoroquinolone antimicrobial agent[1].

  • CAS Number: 98105-99-8
  • MF: C20H17F2N3O3
  • MW: 385.36
  • Catalog: Bacterial
  • Density: 1.436 g/cm3
  • Boiling Point: 621.4ºC at 760 mmHg
  • Melting Point: 112-114 °C
  • Flash Point: 329.6ºC

Isojacareubin

Isojacareubin can be isolated from Hypericum japonicum. Isojacareubin covalently inhibits SARS-CoV-2 3CLpro. Isojacareubin also has anti-helicobacter activity. Isojacareubin inhibits PKC, and suppresses hepatocellular carcinoma metastasis and induces apoptosis[1][2][3].

  • CAS Number: 50597-93-8
  • MF: C18H14O6
  • MW: 326.30
  • Catalog: Bacterial
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 576.8±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 216.0±23.6 °C

Calcimycin hemimagnesium

Calcimycin (A-23187) hemimagnesium is an antibiotic and a unique divalent cation ionophore (like calcium and magnesium). Calcimycin hemimagnesium induces Ca2+-dependent cell death by increasing intracellular calcium concentration. Calcimycin hemimagnesium inhibits the growth of Gram-positive bacteria and some fungi. Calcimycin hemimagnesium also inhibits the activity of ATPase and uncouples oxidative phosphorylation of mammalian cells. Calcimycin hemimagnesium induces apoptosis[1][2][3][4].

  • CAS Number: 72124-77-7
  • MF: C58H72MgN6O12
  • MW: 1069.53000
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

RSV inhibitor compound 1

Syncytial Virus Inhibitor-1 is a potent, orally bioavailable respiratory syncytial virus (RSV) fusion inhibitor with EC50s of 0.002 μM, 0.004 μM, and 0.002 μM for RSV Long, RSV A2, and RSV B strains, respectively[1].

  • CAS Number: 1422496-79-4
  • MF: C23H26N4O3S
  • MW: 438.54
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Levamisole (hydrochloride)

Levamisole Hcl is an anthelmintic and immunomodulator belonging to a class of synthetic imidazothiazole derivatives.IC50 value: Target: Levamisole suppresses the production of white blood cells, resulting in neutropenia and agranulocytosis. With the increasing use of levamisole as an adulterant, a number of these complications have been reported among cocaine users [1] [2]. Levamisole reversibly and noncompetitively inhibits most isoforms of alkaline phosphatase (e.g., human liver, bone, kidney, and spleen) except the intestinal and placental isoform [3]. It is thus used as an inhibitor along with substrate to reduce background alkaline phosphatase activity in biomedical assays involving detection signal amplification by intestinal alkaline phosphatase, for example in in situ hybridization or Western blot protocols. It is used to immobilize the nematode C. elegans on glass slides for imaging.

  • CAS Number: 16595-80-5
  • MF: C11H13ClN2S
  • MW: 240.752
  • Catalog: Parasite
  • Density: N/A
  • Boiling Point: 344.4ºC at 760 mmHg
  • Melting Point: 226-231ºC
  • Flash Point: 162.1ºC

(3β,9β,24S)-9,19-Cyclolanostane-3,24,25-triol

(24S)-Cycloartane-3β,24,25-triol, a cycloartane, has antitubercular activity against Mycobacterium tuberculosis H37Rv (MIC: 32 μg/mL). (24S)-Cycloartane-3β,24,25-triol can be isolated from the flowers of Chrysanthemum morifolium[1].

  • CAS Number: 57576-29-1
  • MF: C30H52O3
  • MW: 460.73
  • Catalog: Bacterial
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 572.4±20.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 234.2±16.4 °C

5-(N,N-Hexamethylene)-amiloride

5-(N,N-Hexamethylene)-amiloride (Hexamethylene amiloride) derives from an amiloride and is a potent Na+/H+ exchanger inhibitor, which decreases the intracellular pH (pHi) and induces apoptosis in leukemic cells. 5-(N,N-Hexamethylene)-amiloride (Hexamethylene amiloride) is also an inhibitor of the HIV-1 Vpu virus ion channel and inhibits mouse hepatitis virus (MHV) replication and human coronavirus 229E (HCoV229E) replication in cultured L929 cells with EC50s of 3.91 μM and 1.34 μM, respectively[1][2].

  • CAS Number: 1428-95-1
  • MF: C12H18ClN7O
  • MW: 311.77100
  • Catalog: HIV
  • Density: 1.63g/cm3
  • Boiling Point: 638.2ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 339.8ºC

Sideroxylin

Sideroxylin is a C-methylated flavone isolated from Callistemon lanceolatus and exerts antimicrobial activity against Staphylococcus aureus. Sideroxylin inhibits ovarian cancer cell proliferation and induces apoptosis, causing DNA fragmentation, depolarization of the mitochondrial membrane, the generation of reactive oxygen species (ROS)[1].

  • CAS Number: 3122-87-0
  • MF: C18H16O5
  • MW: 312.317
  • Catalog: Bacterial
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 565.5±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 210.3±23.6 °C

probenecid

Probenecid is a potent and selective agonist of transient receptor potential vanilloid 2 (TRPV2) channels.

  • CAS Number: 57-66-9
  • MF: C13H19NO4S
  • MW: 285.359
  • Catalog: Bacterial
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 438.0±47.0 °C at 760 mmHg
  • Melting Point: 194-196°C
  • Flash Point: 218.7±29.3 °C

BTZ043

BTZ043 is an inhibitor of decaprenyl-phosphoribose-epimerase (DprE1), with MICs of of 2.3 nM and 9.2 nM for M. tuberculosis H37Rv and Mycobacterium smegmatis, respectively.

  • CAS Number: 1161233-85-7
  • MF: C17H16F3N3O5S
  • MW: 431.386
  • Catalog: Bacterial
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 547.6±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 285.0±32.9 °C

Fumitremorgin B

Fumitremorgin B is a tremorgenic mycotoxin. Fumitremorgin B exhibits significant antifungal activities, with MICs of 6.25-50 μg/mL[1][2][3].

  • CAS Number: 12626-17-4
  • MF: C27H33N3O5
  • MW: 479.56800
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ensitrelvir fumarate

Ensitrelvir (S-217622) fumarate is the first orally active non-covalent, non-peptidic, SARS-CoV-2 3CL protease inhibitor (IC50=13 nM)[1][2].

  • CAS Number: 2757470-18-9
  • MF: C26H21ClF3N9O6
  • MW: 647.95
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Gemifioxacin mesylate

Gemifloxacin mesylate is an oral broad-spectrum quinolone antibacterial agent, used in the treatment of acute bacterial exacerbation of chronic bronchitis, and mild-to-moderate pneumonia.

  • CAS Number: 210353-53-0
  • MF: C19H24FN5O7S
  • MW: 485.487
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 638.9ºC at 760mmHg
  • Melting Point: 235-237ºC
  • Flash Point: 340.2ºC

Raltegravir (MK-0518)

Raltegravir is a potent integrase (IN) inhibitor, used to treat HIV infection.

  • CAS Number: 518048-05-0
  • MF: C20H21FN6O5
  • MW: 444.416
  • Catalog: HIV
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lenvervimab

Lenvervimab (GC1102) is a IgG1-type recombinant human hepatitis B Immunoglobulin. Lenvervimab can be used for research of hepatitis B virus infection[1][2].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lapachol

Lapachol is a naphthoquinone that was first isolated from Tabebuia avellanedae (Bignoniaceae). Lapachol shows anti-infection and antitumor activity[1]

  • CAS Number: 84-79-7
  • MF: C15H14O3
  • MW: 242.270
  • Catalog: Bacterial
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 390.1±42.0 °C at 760 mmHg
  • Melting Point: 141-143ºC(lit.)
  • Flash Point: 203.9±24.4 °C

Luliconazole

Luliconazole(NND 502) is an azole antifungal indicated for the topical treatment of interdigital tinea pedis.IC50 Value: Target: AntifungalLuliconazole is an antifungal that belongs to the azole class. Although the exact mechanism of action against dermatophytes is unknown, luliconazole appears to inhibit ergosterol synthesis by inhibiting the enzyme lanosterol demethylase. Inhibition of this enzyme’s activity by azoles results in decreased amounts of ergosterol, a constituent of fungal cell membranes, and a corresponding accumulation of lanosterol. In a fertility study in rats, subcutaneous doses of 1, 5 and 25 mg/kg/day luliconazole were administered prior to and during mating and through early pregnancy. Treatment related effects on reproductive function were noted in females (decreased live embryos and decreased corpus luteum) at 5 and 25 mg/kg/day and males (decreased sperm counts) at 25 mg/kg/day. No treatment related effects on fertility or reproductive function were noted at 1 mg/kg/day (0.1X MRHD based on BSA comparisons).

  • CAS Number: 187164-19-8
  • MF: C14H9Cl2N3S2
  • MW: 354.277
  • Catalog: Fungal
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 499.1±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 255.6±31.5 °C

Quinine

Quinine is an anti-malaria agent and also a potassium channel inhibitor with an IC50 of 169 μM.

  • CAS Number: 130-95-0
  • MF: C20H24N2O2
  • MW: 324.417
  • Catalog: Parasite
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 495.9±40.0 °C at 760 mmHg
  • Melting Point: 176-177ºC
  • Flash Point: 253.7±27.3 °C

Lipoxamycin hemisulfate

Lipoxamycin hemisulfate is an antifungal antibiotic and a potent serine palmitoyltransferase inhibitor with an IC50 of 21 nM[1][2].

  • CAS Number: 11075-87-9
  • MF: C19H36N2O5.1/2H2O4S
  • MW: 421.54
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Gardiquimod

Gardiquimod, an imidazoquinoline analog, is a TLR7/8 agonist. Gardiquimod could inhibit HIV-1 infection of macrophages and activated peripheral blood mononuclear cells (PBMCs). Gardiquimod specifically activates TLR7 when used at concentrations below 10 μM[1][2].

  • CAS Number: 1020412-43-4
  • MF: C17H23N5O
  • MW: 313.39700
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BMS-986224

BMS-986224 is a potent, selective and orally bioavailable APJ receptor agonist (Kd = 0.3 nM). BMS-986224 exhibits similar receptor binding and signaling profile to (Pyr1) apelin-13. BMS-986224 has the potential for the research of heart failure[1].

  • CAS Number: 2055200-88-7
  • MF: C24H23ClN4O6
  • MW: 498.92
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Corydalmine hydrochloride

Corydalmine hydrochloride inhibits spore germination of some plant pathogenic as well as saprophytic fungi[1]. Corydalmine hydrochloride acts as an oral analgesic agent, exhibiting potent analgesic activity[2]. Corydalmine hydrochloride alleviates Vincristine-induced neuropathic pain in mice by inhibiting an NF-κB-dependent CXCL1/CXCR2 signaling pathway[3].

  • CAS Number: 2428393-60-4
  • MF: C20H24ClNO4
  • MW: 377.86
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cilgavimab

Cilgavimab (AZD-1061; COV2-2130) is a humanized SARS-CoV-2-neutralizing monoclonal antibody, can compose monoclonal-antibody combination AZD7442 with Tixagevimab (HY-P99556). Cilgavimab shows protective action on mouse models of SARS-CoV-2 infection[1].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BRITE-338733

BRITE-338733 is a RecA ATPase inhibitor, with an IC50 of 4.7 µM[1].

  • CAS Number: 503105-88-2
  • MF: C27H35N3O2
  • MW: 433.586
  • Catalog: Bacterial
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 557.3±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 290.8±30.1 °C

2-Mercaptopyridine N-oxide sodium

2-Mercaptopyridine N-oxide sodium has bactericidal effect and is against a standard strain of Mycobacterium tuberculosis H37Rv (ATCC 27294) with MIC90 of 7.20 μM. 2-Mercaptopyridine N-oxide sodium and its complex with iron, gallium, and bismuth have good anti-M. tuberculosis activity. 2-Mercaptopyridine N-oxide sodium has potential for the treatment of tuberculosis[1].

  • CAS Number: 3811-73-2
  • MF: C5H4NNaOS
  • MW: 149.146
  • Catalog: Bacterial
  • Density: 1.22
  • Boiling Point: 109 °C
  • Melting Point: -25 °C
  • Flash Point: 107.3ºC

1,2-Dimethyl-5-nitroimidazole

Dimetridazole is a nitroimidazole class drug that combats protozoan infections.Target: AntiparasiticDimetridazole (DMZ) is a 5-nitroimidazole drug traditionally used for the prevention and treatment of histomoniasis in turkeys, trichomoniasis in pigeons, genital trichomoniasis in cattle and the prevention and treatment of haemorrhagic enteritis in pigs.

  • CAS Number: 551-92-8
  • MF: C5H7N3O2
  • MW: 141.128
  • Catalog: Parasite
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 313.7±15.0 °C at 760 mmHg
  • Melting Point: 177-182°C
  • Flash Point: 143.5±20.4 °C

LolCDE-IN-1

LolCDE-IN-1 is an inhibitor of the Lol proteins (LolCDE) complex, with antibacterial activity[1].

  • CAS Number: 1639933-78-0
  • MF: C21H16FN3O
  • MW: 345.37
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A