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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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
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Akt AMPK ATM/ATR DNA-PK GSK-3 MELK mTOR PDK-1 PI3K PI4K PIKfyve PTEN
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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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Anhydrotetracycline Hydrochloride

Anhydrotetracycline hydrochloride, a tetracycline biosynthetic precursor, is a potent competitive broad-spectrum tetracycline destructase enzymes inhibitor. Anhydrotetracycline hydrochloride is an effector for tetracycline controlled gene expression systems in eukaryotic cells[1].

  • CAS Number: 13803-65-1
  • MF: C22H23ClN2O7
  • MW: 462.880
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 618.6ºC at 760 mmHg
  • Melting Point: 222.8ºC
  • Flash Point: 327.9ºC

TH 1217

TH1217 (ZINC1775962367) is a potent and selective dCTPase pyrophosphatase 1 (dCTPase) inhibitor, with an IC50 of 47 nM. TH1217 enhances the cytotoxic effect of cytidine analogues in leukemia cells. TH1217 also could modulate SARS-Cov-2 interactors, so it shows activity of against COVID-19[1][2].

  • CAS Number: 1862212-48-3
  • MF: C20H17BCl2N4O6
  • MW: 491.09
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MI-1851

MI-1851 is a potent furin inhibitor. MI-1851 prevents the proteolytic processing of the S protein of SARS-CoV-2 by endogenous flavoprotease in HEK293 cells. MI-185 has antiviral activity[1][2].

  • CAS Number: 2417283-44-2
  • MF: C34H53N15O6
  • MW: 767.88
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Doravirine

Doravirine is a novel non-nucleoside inhibitor of HIV-1 reverse transcriptase with potent activity against wild-type virus (95% inhibitory concentration 19 nM, 50% human serum). target:HIV [1]In vitro: Doravirine exhibits potent antiviral activity against wild-type virus and K103N, Y181C, and K103N/Y181C mutant viruses, with IC50 value of 12, 21, 31, and 33 nM, respectively. [1] MK-1439 exhibited similar antiviral activities against 10 different HIV-1 subtype viruses (a total of 93 viruses).[2]In vivo: Administration of 50 mg doravirine with a high-fat meal is associated with slight elevations in AUC time zero to infinity (AUC0-∞) and C24 h with no change in Cmax. Midazolam AUC0-∞ is slightly reduced by coadministration of doravirine (geometric mean ratio 0.82, 90% CI 0.70, 0.97). [3]

  • CAS Number: 1338225-97-0
  • MF: C17H11ClF3N5O3
  • MW: 425.749
  • Catalog: HIV
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Elastase LasB-IN-1

Elastase LasB-IN-1 (Compound 4b) has antibacterial activity. Elastase LasB-IN-1 (Compound 4b) is a selective elastase LasB inhibitor with an IC50 value of 76 nM[1].

  • CAS Number: 2762675-17-0
  • MF: C13H17F3NO4P
  • MW: 339.25
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ABMA

ABMA is a novel broad-spectrum inhibitor of intracellular toxins and pathogens, efficiently protects cells against various toxins and pathogens including viruses, intracellular bacteria and parasite; protects mice from nasal instillation of an LD90 of ricin; provokes Rab7-positive late endosomal compartment accumulation in mammalian cells without affecting other organelles.

  • CAS Number: 332108-65-3
  • MF: C18H24BrNO
  • MW: 350.293
  • Catalog: Bacterial
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 428.2±30.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 212.8±24.6 °C

Lamivudine salicylate

Lamivudine (BCH-189) salicylate is an orally active nucleoside reverse transcriptase inhibitor (NRTI). Lamivudine salicylate can inhibit HIV reverse transcriptase 1/2 and also the reverse transcriptase of hepatitis B virus. Lamivudine salicylate can penetrate the CNS[1][2].

  • CAS Number: 173522-96-8
  • MF: C15H17N3O6S
  • MW: 367.377
  • Catalog: HBV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

theaflavine-3,3'-digallate

Theaflavine-3,3'-digallate, a bioactive black tea phenolic, can be used for the research of gut microbiota composition modulatory effects[1].

  • CAS Number: 33377-72-9
  • MF: C43H32O20
  • MW: 868.702
  • Catalog: Bacterial
  • Density: 2.0±0.1 g/cm3
  • Boiling Point: 1352.6±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 411.0±27.8 °C

P1

P1 is a broad-spectrum antimicrobial peptide. P1 shows antibacterial activity against Gram-positive and Gram-negative bacteria,such as B. anthracis spores and Carbapenem-resistant A. baumannii and K. pneumoniae[1].

  • CAS Number: 675123-75-8
  • MF: C65H118N20O19S2
  • MW: 1547.89
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

6-Azathymine

6-Azathymine, a 6-nitrogen analog of thymine, is a potent D-3-aminoisobutyrate-pyruvate aminotransferase inhibitor. 6-Azathymine inhibits the biosynthesis of DNA, and has antibacterial and antiviral activities[1][2][3][4].

  • CAS Number: 932-53-6
  • MF: C4H5N3O2
  • MW: 127.101
  • Catalog: Bacterial
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 210-212°C
  • Flash Point: N/A

Methyl 2,4-dihydroxy-6-methylbenzoate

Methyl orsellinate is a phytotoxic compound with antifungal activities. Methyl orsellinate is a 5-lipoxygenase inhibitor with an IC50 value of 59.6 μM. Methyl orsellinate can be used for fungal infection research[1][2].

  • CAS Number: 3187-58-4
  • MF: C9H10O4
  • MW: 182.173
  • Catalog: Fungal
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 339.1±22.0 °C at 760 mmHg
  • Melting Point: 141-142℃
  • Flash Point: 138.1±15.8 °C

Rovafovir Etalafenamide

Rovafovir etalafenamide (GS-9131), a prodrug of the adenosine nucleotide analogue GS-9148, is an orally active nucleoside reverse transcriptase inhibitor (NRTI). Rovafovir etalafenamide is potent and active against a variety of NRTI mutants, and shows potent anti-HIV-1 activity[1][2].

  • CAS Number: 912809-27-9
  • MF: C21H24FN6O6P
  • MW: 506.42
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Carbodine

Carbodine (Carbocyclic cytidine) is a broad-spectrum antiviral agent active against DNA viruses, (+)RNA viruses, (-)RNA viruses, paramyxo, rhabdo and (+/-)RNA viruses, targets CTP synthetase that converts UTP to CTP. Carbodine (Carbocyclic cytidine) possesses significant antiviral activity against influenza virus types A0/PR-8/34 and A2/Aichi/2/68 in vitro[1][2].

  • CAS Number: 71184-20-8
  • MF: C10H15N3O4
  • MW: 286.38700
  • Catalog: Influenza Virus
  • Density: 1.74g/cm3
  • Boiling Point: 477ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 242.3ºC

Vidarabine

Vidarabine is an antiviral drug which is active against herpes simplex and varicella zoster viruses.Target: DNA/RNA SynthesisVidarabine is a nucleoside antibiotic isolated from Streptomyces antibioticus. It has some antineoplastic properties and has broad spectrum activity against DNA viruses in cell cultures and significant antiviral activity against infections caused by a variety of viruses such as the herpes viruses, the vaccinia VIRUS and varicella zoster virus [1].

  • CAS Number: 5536-17-4
  • MF: C10H13N5O4
  • MW: 267.241
  • Catalog: HSV
  • Density: 2.1±0.1 g/cm3
  • Boiling Point: 676.3±65.0 °C at 760 mmHg
  • Melting Point: 260-265ºC (dec.)
  • Flash Point: 362.8±34.3 °C

SARS-CoV-2-IN-22

SARS-CoV-2-IN-22 is a SARS-CoV-2 pseudovirus entry inhibitor with an IC50 value of 16.96 µM[1].

  • CAS Number: 2710278-53-6
  • MF: C27H24N2O3S
  • MW: 456.56
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Amikacin sulfate

Amikacin sulfate(BAY416651 sulfate) is a semi-synthetic aminoglycoside antibiotic derived from kanamycin A.Target: AntibacterialAmikacin disrupts bacterial protein synthesis by binding to the 30S ribosome of susceptible organisms. Binding interferes with mRNA binding and tRNA acceptor sites leading to the production of non-functional or toxic peptides. Other mechanisms not fully understood may confer the bactericidal effects of amikacin. Amikacin is also nephrotoxic and ototoxic. Amikacin is useful against gentamicin-resistant gram-negative bacilli and also in the treatment of infections caused by susceptible Nocardia and nontuberculous mycobacteria.[1].

  • CAS Number: 39831-55-5
  • MF: C22H47N5O21S2
  • MW: 781.760
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 981.8ºC at 760 mmHg
  • Melting Point: 220-230ºC
  • Flash Point: N/A

AB-836

AB-836 is an orally active HBV capsid inhibitor. AB-836 inhibits viral replication by interacting with HBV core protein[1].

  • CAS Number: 2445597-31-7
  • MF: C20H15F3N4O2
  • MW: 400.35
  • Catalog: HBV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Azithromycin

Azithromycin is a macrolide antibiotic useful for the treatment of a number of bacterial infections.

  • CAS Number: 83905-01-5
  • MF: C38H72N2O12
  • MW: 748.984
  • Catalog: Bacterial
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 822.1±65.0 °C at 760 mmHg
  • Melting Point: 113-115°C
  • Flash Point: 451.0±34.3 °C

Sulfadimethoxypyrimidine D4

Sulfadimethoxypyrimidine D4 is a deuterium labeled Sulfadimethoxypyrimidine. Sulfadimethoxypyrimidine is a sulfonamide antibiotic with a broad-spectrum antibacterial effect[1].

  • CAS Number: 1392211-88-9
  • MF: C12H10D4N4O4S
  • MW: 314.35
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HIV-1 inhibitor-19

HIV-1 inhibitor-19 is a potent HIV-1 non-nucleoside reverse transcriptase inhibitor (NNRTI). HIV-1 inhibitor-19 maintains its inhibitory activity against L100I, K103N and V106A/ F227L mutant strains with EC50s of 7.3 nM, 9.2 nM and 21.0 nM, respectively[1].

  • CAS Number: 2649837-82-9
  • MF: C24H22BClN2O5S
  • MW: 496.77
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Chloroquine diphosphate

Chloroquine (diphosphate) is an antimalarial and anti-inflammatory drug widely used to treat malaria and rheumatoid arthritis. Chloroquine is an inhibitor of autophagy and toll-like receptors (TLRs).

  • CAS Number: 50-63-5
  • MF: C18H32ClN3O8P2
  • MW: 515.862
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: 460.6ºC at 760 mmHg
  • Melting Point: 200 °C (dec.)(lit.)
  • Flash Point: 232.3ºC

squalamine lactate

Squalamine lactate is an aminosterol compound discovered in the tissues of the dogfish shark, with antimicrobial activity, and used for the treatment of neovascular age-related macular degeneration.

  • CAS Number: 320725-47-1
  • MF: C37H71N3O8S
  • MW: 736.055
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Saikosaponin B2

Saikosaponin B2 is an active component from Bupleurum kaoi root, acts as an entry inhibitor against HCV infection[1]. Anti-cancer activity[2].

  • CAS Number: 58316-41-9
  • MF: C42H68O13
  • MW: 780.982
  • Catalog: HCV
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 909.9±65.0 °C at 760 mmHg
  • Melting Point: 231-238ºC
  • Flash Point: 504.1±34.3 °C

Balapiravir

Balapiravir (R1626, Ro 4588161) is the prodrug of a nucleoside analogue inhibitor of the hepatitis C virus (HCV) RNA-dependent RNA polymerase (R1479, RG1479).IC50 Value: Target: HCVBalapiravir(R-1626; R 1626; Ro 4588161) is useful for Anti HCV. Balapiravir (R1626) is the tri-isobutyrate ester prodrug of R1479 under clinical development to improve exposure of R1479 upon oral administration. Balapiravir was discontinued for safety reasons in 28-36% of patients (most often for lymphopenia) and the percentage of patients with serious adverse events (especially hematological, infection, ocular events) was dose related. Serious hematological adverse events (particularly neutropenia, lymphopenia) were more common in balapiravir recipients. Two deaths in the balapiravir/peginterferon alfa-2a/ribavirin combination groups were considered possibly related to study medication.

  • CAS Number: 690270-29-2
  • MF: C21H30N6O8
  • MW: 494.49800
  • Catalog: HCV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Omadacycline (mesylate)

Omadacycline mesylate is a new tetracycline antibiotic in the pipeline, which can inhibit the 30s subunit of bacterial ribosome.IC50 Value: N/ATarget: Antibacterialin vitro: in vivo: Clinical trial: Phase III Study to Compare the Safety and Efficacy of PTK-0796 in Patients With Complicated Skin and Skin Structure Infection (CSSSI).

  • CAS Number: 1196800-40-4
  • MF: C30H44N4O10S
  • MW: 652.756
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tizoxanide-d4

Tizoxanide D4 (TIZ D4) is the deuterium labeled Tizoxanide. Tizoxanide is the active metabolite of Nitazoxanide, which is a thiazolide anti-infective compound against anaerobic bacteria, protozoa, and a range of viruses. Tizoxanide has anti-HIV-1 activities[1][2].

  • CAS Number: 1246817-56-0
  • MF: C10H3D4N3O4S
  • MW: 269.270
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1-Methoxyphaseollidin

1-Methoxyphaseollidin, a flavonoid compound, is a lysoPAF acetyltransferase inhibitor, with an IC50 of 48 μM. 1-Methoxyphaseollidin exhibits anti-H.pylori activity against the CLAR and AMOX-resistant strain as well as four CLAR (AMOX)-sensitive strains[1][2][3].

  • CAS Number: 65428-13-9
  • MF: C21H22O5
  • MW: 354.39638
  • Catalog: Bacterial
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 521.7±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 269.3±30.1 °C

Sulfacetamide sodium

Sulfacetamide sodium monohydrate is a sulfonamide antibiotic, has been investigated for use in the treatment of pityriasis versicolor and rosacea.

  • CAS Number: 6209-17-2
  • MF: C8H11N2NaO4S
  • MW: 254.239
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 450.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 226.4ºC

Psicofuranine

Psicofuramine a nucleoside antibiotic and has the inhibition of xanthosine 5'-phosphate aminase. Psicofuranine also specifically inhibits GMP synthase, and interrupts parasite growth. Psicofuranine exhibits a dose-dependent inhibition of P. falciparum growth[1][2].

  • CAS Number: 1874-54-0
  • MF: C11H15N5O5
  • MW: 297.26700
  • Catalog: Bacterial
  • Density: 2.02g/cm3
  • Boiling Point: 720.1ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 389.3ºC

amifloxacin

Win49375 is a synthetic antibacterial agent of the quinolone class.

  • CAS Number: 86393-37-5
  • MF: C16H19FN4O3
  • MW: 334.34500
  • Catalog: Bacterial
  • Density: 1.44g/cm3
  • Boiling Point: 532.5ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 275.8ºC