找化学品上960化工网!
960化工网

阿扎那韦硫酸盐 | 229975-97-7

阿扎那韦硫酸盐
Atazanavir sulfate
229975-97-7
C38H54N6O11S
802.9340
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:阿扎那韦硫酸盐结构式
158550
阿扎那韦硫酸盐价格
简介
Atazanavir sulfate (BMS-232632 sulfate) 是一种高选择性的 HIV-1蛋白酶抑制剂,用于艾滋病毒感染的研究。Atazanavir sulfate (BMS-232632 sulfate) 是 CYP3A4 的底物和抑制剂,也是 P-糖蛋白的抑制剂和诱导剂。Atazanavir sulfate 也是 SARS-CoV 3CLpro 的抑制剂,IC50 为 3.49 μM。
名称和标识符
MDL MFCD08067748
InChIKey DQSGVVGOPRWTKI-QVFAWCHISA-N
Inchi 1S/C38H52N6O7.H2O4S/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28;1-5(2,3)4/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47);(H2,1,2,3,4)/t29-,30-,31+,32+;/m0./s1
SMILES S(=O)(=O)(O[H])O[H].O([H])[C@@]([H])(C([H])([H])N(C([H])([H])C1C([H])=C([H])C(C2=C([H])C([H])=C([H])C([H])=N2)=C([H])C=1[H])N([H])C([C@]([H])(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])N([H])C(=O)OC([H])([H])[H])=O)[C@]([H])(C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])N([H])C([C@]([H])(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])N([H])C(=O)OC([H])([H])[H])=O
别名信息
- 中文别名 -
  • 阿扎那韦
  • 阿扎那韦硫酸盐
  • 阿扎那韦硫酸盐 USP标准品
  • 二氟甲基 (2-吡啶基)砜
  • 硫酸阿扎那韦
  • 西洛司特
- 英文别名 -
  • Atazanavir Sulfate
  • Atazanavir Sulphate
  • Methyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate sulfate
  • Atazanavir sulfate (BMS-232632-05, CGP 73547 sulfate, Reyataz®)
  • Atazanavir Bisulfate Salt
  • Atazanavir Bisulfate Salt See A790051
  • Atazanavir Bisulfate SaltSee A790051
  • BMS 232632 sulfate
  • BMS-232632 sulfate
  • Dimethyl (3S,8S,9S,12S)-9-benzyl-3,12,di-tert-butyl-8-hydroxy-4,11-dioxo-6-(p-2-pyridylbenzyl)-2,5,6,10,13-pentaazatetradecanedioate sulfate (1:1)
  • Methyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamat
  • Reyataz
  • Atazanavir (sulfate)
  • Atazanavir sulfate [USAN]
  • 4MT4VIE29P
  • Reyataz (TN)
  • Atazanavir sulfate
  • 2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-, 1,14-dimethyl ester, (3S,8S,9S,12S)-, sulfate (1:1)
  • ATAZANAVIR SULFATE [JAN]
  • 3-AMINO-3-(3-BENZYLOXY-PHENYL)-PROPIONICACID
  • Atazanavir so4
  • CS-1890
  • CHEBI:31243
  • ATAZANAVIRI SULFAS [WHO-IP LATIN]
  • MLS006010199
  • 2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-, dimethyl ester, (3S,8S,9S,12S)-, sulfate (1:1) (salt)
  • methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
  • sulfuric acid
  • ATAZANAVIR SULFATE [MI]
  • DTXCID801475397
  • s1457
  • D01276
  • HY-17367A
  • Atazanavir sulfate (JAN/USAN)
  • ATAZANAVIR SO4 [VANDF]
  • DTXSID401017206
  • NSC 742546
  • ATAZANAVIR SULFATE (USP-RS)
  • SW220258-1
  • ATAZANAVIR SULFATE [EP MONOGRAPH]
  • 2,5,6,10,13-Pentaazatetradecanedioic acid, 3-12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((-4-(2-pyridinyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)-, sulfate (1:1) (salt)
  • 2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-pyridinyl)phenyl)methyl)-, dimethyl ester, (3S,8S,9S,12S)-, sulfate (1:1) (salt)
  • 229975-97-7
  • ATAZANAVIR SULFATE [WHO-DD]
  • ATAZANAVIR SULFATE COMPONENT OF EVOTAZ
  • UNII-4MT4VIE29P
  • SMR002544693
  • J-014934
  • methyl ((5S,10S,11S,14S)-11-benzyl-5-(tert-butyl)-10-hydroxy-15,15-dimethyl-3,6,13-trioxo-8-(4-(pyridin-2-yl)benzyl)-2-oxa-4,7,8,12-tetraazahexadecan-14-yl)carbamate sulfate
  • AKOS016000176
  • Q27114238
  • ATAZANAVIR SULFATE [MART.]
  • MLS003915641
  • BMS-232632-05, Reyataz
  • AS-14954
  • BMS-232632-05
  • Atazanavir sulphate
  • 229975-97-7 (sulfate)
  • ATAZANAVIR SULFATE (MART.)
  • ATAZANAVIR SULFATE [WHO-IP]
  • EX-A4010
  • SCHEMBL341700
  • Dimethyl (3S,8S,9S,12S)-9-benzyl-3,12,di-tert-butyl-8-hydroxy-4,11-dioxo-6-(p-2-pyridylbenzyl)-2,5,6,10,13-pentaazatetradecanedioate, sulfate (1:1) (salt)
  • ATAZANAVIR SULFATE (EP MONOGRAPH)
  • ATAZANAVIR SULFATE [USP-RS]
  • DQSGVVGOPRWTKI-QVFAWCHISA-N
  • ATAZANAVIR SULFATE [ORANGE BOOK]
  • CCG-270493
  • A816475
  • ATAZANAVIR SULPHATE [EMA EPAR]
  • AMY36999
  • CHEMBL1200678
  • EVOTAZ COMPONENT ATAZANAVIR SULFATE
  • Atazanaviri sulfas
  • MFCD08067748
  • Atazor
  • NSC-742546
  • methyl N-[(1S)-1-[[(1S,2S)-1-benzyl-2-hydroxy-3-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-[(4-phenylphenyl)methyl]amino]propyl]carbamoyl]-2,2-dimethyl-propyl]carbamate
  • sulfuric acid
  • Atazanavir sulfate
物化性质
实验特性
LogP 6.20320
PSA 254.20000
沸点 995.5 °C at 760 mmHg
熔点 195-209°C
闪点 555.8 °C
比旋光度 -46.1° (c=1, 1:1 MeOH/H2O, pH 2.6)
密度 1.164
计算特性
精确分子量 802.35700
氢键供体数量 7
氢键受体数量 13
可旋转化学键数量 18
同位素质量 802.357
重原子数量 56
复杂度 1190
同位素原子数量 0
确定原子立构中心数量 4
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 2
拓扑分子极性表面积 254
相关文献
  • 1. Nanoparticles based on lipidyl-β-cyclodextrins: synthesis, characterization, and experimental and computational biophysical studies for encapsulation of atazanavir
    Aurélien L. Furlan,Sébastien Buchoux,Yong Miao,Vincent Banchet,Mathieu Létévé,Virginie Lambertyn,Jean Michel,Catherine Sarazin,Véronique Bonnet New J. Chem. 2018 42 20171
  • 2. Combining predictive and analytical methods to elucidate pharmaceutical biotransformation in activated sludge
    Leo Trostel,Claudia Coll,Kathrin Fenner,Jasmin Hafner Environ. Sci.: Processes Impacts 2023 25 1322
专业数据库参考
PubChemId 158550
960化工网为您提供阿扎那韦硫酸盐专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:229975-97-7,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:229975-97-7
平台客服 平台客服

平台在线客服