기본 정보
- CAS
133627-24-4- 표준 SMILES
O=C1Nc2c(CO)ccnc2N(C2CC2)c2ncccc21- InChIKey
SEBABOMFNCVZGF-UHFFFAOYSA-N- 분자식
- C15H14N4O2
- 평균 분자량
- 282.3 g/mol
- 단동위원소 질량
- 282.11167569
개요
12-hydroxynevirapine is a dipyridodiazepine that is nevirapine in which one of the hydrogens of the methyl group has been substituted by a hydroxy group. It is a metabolite of the anti-HIV drug, nevirapine. It has a role as a drug metabolite. It is an aromatic primary alcohol, a member of cyclopropanes and a dipyridodiazepine. It is functionally related to a nevirapine.
이름 및 식별자
- 우선 이름
- 11-Cyclopropyl-5,11-dihydro-4-(hydroxymethyl)-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
- IUPAC
- 2-cyclopropyl-7-(hydroxymethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
- 현지명
- 11-Cyclopropyl-5,11-dihydro-4-(hydroxyMethyl)-6H-dipyrido[3,2-b:2′,3′-e][1,4]디아제핀-6-원
- 영어명
- 11-Cyclopropyl-5,11-dihydro-4-(hydroxyMethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4] diazepin-6-one
- 분자식
- C15H14N4O2
- 분자량
- 282.3
이름 및 동의어
133627-24-412-Hydroxy nevirapineY6L0287CM411-Cyclopropyl-5,11-dihydro-4-(hydroxymethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-oneDTXSID9015826111-CYCLOPROPYL-5,11-DIHYDRO-4-(HYDROXYMETHYL)-6H-DIPYRIDO(3,2-B:2',3'-E)(1,4)DIAZEPIN-6-ONERefChem:1057344DTXCID908075212-Hydroxynevirapine12-hydroxy-NVP12-hydroxy-nevirapineCHEMBL39343
이름 더 보기
11-Cyclopropyl-5,11-dihydro-4-(hydroxyMethyl)-6H-dipyrido[3,2-b:2′,3′-e][1,4]디아제핀-6-원Nevirapine 12-Hydroxy12-Hydroxy Nevirapine D712-Hydroxy Nevirapine D411-cyclopropyl-4-(hydroxymethyl)-5H-dipyrido[2,3-e:2',3'-f][1,4]diazepin-6-oneN11-Cyclopropyl-4-hydroxymethyl-5,11-dihydro-6H-dipyrido(3,2-b:2,3-e)(1,4)diazepin-6-one11-Cyclopropyl-5,11-dihydro-4-(hydroxymethyl)-6H-dipyrido[3,2-b:2,3-e][1,4]\ndiazepin-6-one11-Cyclopropyl-5,11-dihydro-4-(hydroxyMethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4] diazepin-6-one
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 78.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 414
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Metabolite of Nevirapine
물리화학적 성질
- 녹는점
- 184 oC · >184oC (dec.)
- 저장 조건
- Refrigerator
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 연한 노란색에서 밝은 갈색까지
화학 및 산업
약리 정보
Tissue LocationsKidney
Cellular LocationsExtracellular
Metabolite PathwaysNevirapine Metabolism Pathway
응용 분야
용도11-Cyclopropyl-5,11-dihydro-4-(hydroxymethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, is a metabolite of Nevirapine (N391275), which is a potent (IC50=84nM) and selective non-nucleoside inhibitor of HIV-1 reverse transcriptase. It is also an antiviral.
상·하류 제품 정보
상류 원료
공급사11 곳
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