基本情報
- CAS
133627-24-4- 標準SMILES
O=C1Nc2c(CO)ccnc2N(C2CC2)c2ncccc21- InChIKey
SEBABOMFNCVZGF-UHFFFAOYSA-N- 分子式
- C15H14N4O2
- 平均分子量
- 282.3 g/mol
- 単同位体質量
- 282.11167569
概要
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.
名称と識別子
- 優先名称
- 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
- 英語名
- 11-Cyclopropyl-5,11-dihydro-4-(hydroxyMethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4] diazepin-6-one
- 分子式
- C15H14N4O2
- 分子量
- 282.3
名称と別名
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
名称をさらに表示
Nevirapine 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-one6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, 11-cyclopropyl-5,11-dihydro-4-(hydroxymethyl)-
物性
構造計算による物性
- XLogP
- 0.7
- 極性表面積
- 78.4 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 2
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 414
実験および物理化学的性質
DrugsPharmaceuticals -> Metabolite of Nevirapine
物理化学的性質
- 融点
- 184 oC · >184oC (dec.)
- 貯蔵温度
- Refrigerator
- 溶解性
- DMSO（微量）、メタノール（微量）
- 外見
- 個体
- 色
- 淡い黄色から薄茶色
化学と産業
薬理情報
Tissue LocationsKidney
Cellular LocationsExtracellular
Metabolite PathwaysNevirapine Metabolism Pathway
応用分野
使用11-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.
上流・下流製品情報
上流原料
サプライヤー11 社
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
関連反応
3 件
化合物ノート
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