Nevirapine

HCID 4463CAS 129618-40-2

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Grundinformationen

Standard-SMILES: Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1
InChIKey: NQDJXKOVJZTUJA-UHFFFAOYSA-N
Summenformel: C15H14N4O
Durchschnittliche Molmasse: 266,3 g/mol
Monoisotopische Masse: 266,11676108

Namen und Bezeichner

Bevorzugter Name: Nevirapine
IUPAC: 2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
Englischer Name: Nevirapine
Summenformel: C15H14N4O
Molmasse: 266.3

Namen und Synonyme

nevirapine129618-40-2ViramuneBI-RG-587Nevirapine anhydrousViramune XRBIRG 0587Nevirapine, anhydrousNevirapine tevaBIRG587BIRG-058711-Cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one

Weitere Namen anzeigen

D00435NevirneViramnuneNevirapilWeilapingHSDB 7164AIDS005653

Nevirapina11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONEDTXSID703179799DK7FVK1HNevirapinum anhydrousNSC-641530BIRG0587CHEBI:63613

Datenbank-Bezeichner

CAS: 129618-40-2
PubChem CID: 4463
DTXSID: DTXSID7031797
ChEMBL: CHEMBL57
ChEBI: CHEBI:63613
UNII: 99DK7FVK1H
EC Number: 603-345-0
Nikkaji: J420.601K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 58,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 20
Formalladung: 0
Komplexität: 397

Physikochemische Eigenschaften

Schmelzpunkt: 247 °C · 247°C
Siedepunkt: 409.5 °C · 409.5°C (rough estimate)
Dichte: 1.13 · 1.1300 (rough estimate)
Brechungsindex: 1.62 · 1.6200 (estimate)
Flammpunkt: 9 ℃ · 9℃
storage temp.: 2 · 2-8°C
Löslichkeit: 22 mg/mL · DMSO: ≥22mg/mL
Aggregatzustand: powder
pka: 2.8 · 2.8(at 25℃)
Farbe: white to tan
Wasserlöslichkeit: 0.1 g/L · 0.1g/L(temperature not stated)
Merck: 14 · 14,6490
BCS Class: 2 · 2
Major Application: pharmaceutical (small molecule)
InChI: 1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
InChIKey: NQDJXKOVJZTUJA-UHFFFAOYSA-N
SMILES: CC1=CC=NC2=C1NC(C(C=CC=N3)=C3N2C4CC4)=O
CAS Datenbank: 129618 · 129618-40-2(CAS DataBase Reference)
EPA chemische Informationen: 6 H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, · 6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, 11-cyclopropyl-5,11-dihydro-4-methyl- (129618-40-2)

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: 2
ridadr: UN1230 - class 3 - PG 2 - Methanol, solution
hs_code: 29339900
RTECS-Nr.: JM5562500
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
Speicherklasse: 11 - Combustible Solids
Giftige Stoffe Daten: 129618-40-2(Hazardous Substances Data)

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungNevirapine and its analogues exhibit antiretroviral effect against azothymidine-resistant HIV strains. Nevirapine in combination with ZDV and ddI produced approximately 18% higher CD4 cell counts and a decrease in viral load compared with patients who took ZDV and ddI. Nevirapine is recommended with nucleosides for patients infected with HIV-1 who have experienced clinical or immunologic deterioration. The significant side effects of nevirapine are liver dysfunction and skin rashes.

VerwendenLabelled Nevirapine , a potent (IC50=84nM) and selective non-nucleoside inhibitor of HIV-1 reverse transcriptase. Antiviral.;Labeled Nevirapine, intended for use as an internal standard for the quantification of Nevirapine by GC- or LC-mass spectrometry.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

N,N-Dimethylformamid 2-Chloronicotinyl chloride 2-Hydroxy-4-methyl-3-nitropyridine 3-Amino-2-chloro-4-methylpyridine NETOBIMIN 2-Chloro-N-(2-chloro-4-methylpyridin-3-yl)nicotinamide Bis(2-methoxyethyl)ether Calciumoxid Cyclopropylamin Natriumhydrid 3-PyridineCarboxamide,Nevirapine 2-Cyclopropylaminonicotinic acid

Nachgelagerte Produkte

2-Nitro Nevirapine

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海策嵘生物科技有限公司[email protected]

Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: A dipyridodiazepine that is 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepine which is substituted by methyl, oxo, and cyclopropyl groups at positions 4, 6, and 11, respectively. A non-nucleoside reverse tr nscriptase inhibitor with activity against HIV-1, it is used in combination with other antiretrovirals for the treatment of HIV infection.