Nevirapine
VIRAMUNE · D00435 · Nevirne · BI-RG-587 · Viramnune · Nevirapil · Weilaping · BIRG 0587
식별자 및 물리적 특성
| CAS No. | 129618-40-2 |
|---|---|
| 분자식 | C15H14N4O |
| 평균 분자량 | 266.3 g/mol |
| 단동위원소 질량 | 266.11676108 g/mol |
| SMILES | Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1 |
| InChIKey | NQDJXKOVJZTUJA-UHFFFAOYSA-N |
| PubChem CID | 4463 |
| ChEMBL | CHEMBL57 |
| ChEBI | CHEBI:63613 |
| EC No. | 603-345-0 |
| DTXSID | DTXSID7031797 |
화학 및 물리적 성질
| XLogP | 2 |
|---|---|
| 극성 표면적 | 58.1 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 20 |
| 형식 전하 | 0 |
| 복잡도 | 397 |
| 녹는점 | 247°C |
| 끓는 점 | 409.5°C (rough estimate) |
| 밀도 | 1.1300 (rough estimate) |
| 굴절률 | 1.6200 (estimate) |
| 인화점 | 9℃ |
| 저장 조건 | 2-8°C |
| 용해도 | DMSO: ≥22mg/mL |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 2.8(at 25℃) |
| 색상 | 흰색에서 황갈색까지 |
| 용해도 | 0.1g/L(온도 미표시) |
| Merck | 14,6490 |
| BCS Class | 2 |
| 주요 응용 | 의약품(소분자) |
| 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 |
| EPA | 6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, 11-cyclopropyl-5,11-dihydro-4-methyl- (129618-40-2) |
화학적 성질
Crystalline Solid
안전 및 규제
| 수질 위해 등급(WGK) | 2 |
|---|---|
| RTECS 번호 | JM5562500 |
| 운송 번호(UN) | UN1230 - class 3 - PG 2 - Methanol, solution |
| 관세 코드 | 29339900 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36-37/39 |
| 저장 분류 | 11 - Combustible Solids |
| 유해 물질 데이터 | 129618-40-2(Hazardous Substances Data) |
용도
개요
Nevirapine 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.
용도
Labelled 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.
일반 설명
Nevirapine (Viramune) is more than 90% absorbed by theoral route and is widely distributed throughout the body. Itdistributes well into breast milk and crosses the placenta.Transplacental concentrations are about 50% those ofserum. The drug is extensively transformed by cytochromeP450 (CYP) to inactive hydroxylated metabolites; it mayundergo enterohepatic recycling.