149950-60-7

149950-60-7 structure

Name: Emivirine
Chemical Name: emivirine
CAS Number: 149950-60-7
Molecular Formula: C₁₇H₂₂N₂O₃
Molecular Weight: 302.37
Catalog: Signaling Pathways Anti-infection HIV
Create Date: 2016-08-15 20:51:50
Modify Date: 2024-01-01 22:32:29
Emivirine (MKC-442) is a non-nucleoside reverse transcriptase inhibitors (NNRTIs) with Ki values of 0.20 and 0.01 μM for dTTP- and dGTP-dependent DNA or RNA polymerase activity, respectively. Emivirine displays potent and selective anti-human immunodeficiency virus type 1 (HIV-1) activity[1][2].

Name	emivirine
Synonyms	I-EBU 1EtOMe6Bz5i-Pr-U Emivirine Emivirine [USAN:INN] [14C]-Emivirine 1-(ethoxymethyl)-5-(1-methylethyl)-6-(phenylmethyl)pyrimidine-2,4(1H,3H)-dione Coactinon Mkc 442 1-ethoxymethyl-5-isopropyl-6-benzyluracil 6-benzyl-1-(ethoxymethyl)-5-isopropyl uracil 6-benzyl-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione

Description	Emivirine (MKC-442) is a non-nucleoside reverse transcriptase inhibitors (NNRTIs) with Ki values of 0.20 and 0.01 μM for dTTP- and dGTP-dependent DNA or RNA polymerase activity, respectively. Emivirine displays potent and selective anti-human immunodeficiency virus type 1 (HIV-1) activity[1][2].
Related Catalog	Signaling Pathways >> Anti-infection >> HIV Research Areas >> Infection Research Areas >> Inflammation/Immunology
In Vitro	Emivirine (EMV) is also specific for HIV-1 RT and was without effect on HIV-2[2]. Emivirine (EMV) has no obvious toxicity for human healthy cells[2]. Cell Viability Assay[2] Cell Line: Human bone marrow cells collected from normal healthy volunteers. Concentration: 0, 0.1, 1, 10, or 100 μM. Incubation Time: 14 days. Result: At concentrations of 0.1 to 10 μM, no effect on cell growth, lactic acid production, mitochondrial DNA synthesis, or mitochondrial structure was seen compared to what occurred with untreated HepG2 cells.
In Vivo	Tthe approximate lethal oral dose of Emivirine (EMV) for rats was ≥3 g/kg for males and 2.5 g/kg for females[2]. Animal Model: Male Sprague-Dawley rats[2]. Dosage: 50 mg/kg. Administration: Gavage. Result: The oral absorption was 68%.
References	[1]. Panita Decha, et al. Theoretical studies on the molecular basis of HIV-1RT/NNRTIs interactions. J Enzyme Inhib Med Chem. 2011 Feb;26(1):29-36. [2]. G M Szczech, et al. Safety assessment, in vitro and in vivo, and pharmacokinetics of emivirine, a potent and selective nonnucleoside reverse transcriptase inhibitor of human immunodeficiency virus type 1. Antimicrob Agents Chemother. 2000 Jan;44(1):123-30.

Molecular Formula	C₁₇H₂₂N₂O₃
Molecular Weight	302.37
Exact Mass	302.16300
PSA	64.09000
LogP	2.24480

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UV9088750

CHEMICAL NAME :: 2,4(1H,3H)-Pyrimidinedione, 1-(ethoxymethyl)-5-(1-methylethyl)-6-(phenylmethyl)-

CAS REGISTRY NUMBER :: 149950-60-7

LAST UPDATED :: 199603

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C17-H22-N2-O3

MOLECULAR WEIGHT :: 302.41

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 38,2860,1995

HS Code	2933990090

Precursor 8
161061-33-2 176519-55-4 3188-13-4 462-95-3
100-52-7 1026065-34-8 1020069-04-8 176519-53-2
DownStream 0

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

56-41-7	108-65-6
56-35-9	64-17-5
67-56-1	108-88-3
141-78-6	1310-73-2
13463-67-7	1333-86-4