1221573-85-8 (帕利瑞韦,Paritaprevir)

CAS号:
1221573-85-8
中文名称:
帕利瑞韦
英文名称:
Paritaprevir
分子式:
C40H43N7O7S
分子量:
765.877127885818

帕利瑞韦(1221573-85-8)名称与标识符

名称

英文别名:
Paritaprevir;Veruprevir;ABT450;OU2YM37K86;ABT 450;Veruprevir [INN];Veruprevir anhydrous;Paritaprevir [USAN:INN];(2R,6S,13aS,14aR,16aS,Z)-N-(cyclopropylsulfonyl)-6-(5-met;1216941-48-8;GTPL11273;Paritaprevir [USAN];Cyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, N-(cyclopropylsulfonyl)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-6-[[(5-methyl-2-pyrazinyl)carbonyl]amino]-5,16-dioxo-2-(6-phenanthridinyloxy)-, (2R,6S,12Z,13aS,14aR,16aS)-;UNII-OU2YM37K86;NCGC00509859-02;CS-5051;CCG-270449;(2R,6S,13aS,14aR,16aS,Z)-N-(Cyclopropylsulfonyl)-6-(5-methylpyrazine-2-carboxamido)-5,16-dioxo-2-(phenanthridin-6-yloxy)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide;CHEMBL3391662;EX-A2278;(2R,6S,12Z,13aS,14aR,16aS)-N-(Cyclopropylsulfonyl)-6-{[(5-methylpyrazin-2-yl)carbonyl]amino}-5,16-dioxo-2-(phenanthridin-6-yloxy)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[E]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide;(2R,6S,13aS,14aR,16aS,Z)-N-(cyclopropylsulfonyl)-6-(5-methylpyrazine-2-carboxamido)-5,16-dioxo-2-(phenanthridin-6-yloxy)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a-carboxamide;PARITAPREVIR [ORANGE BOOK];(2R,6S,12Z,13aS,14aR,16aS)-N-(Cyclopropylsulfonyl)-6-{[(5-methyl-2-pyrazinyl)carbonyl]amino}-5,16-dioxo-2-(6-phenanthridinyloxy)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo [1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide;ABT-450;(2R,6S,12Z,13aS,14aR,16aS)-N-(Cyclopropylsulfonyl)-6-(((5-methyl-2-pyrazinyl)carbonyl)amino)-5,16-dioxo-2-(6-phenanthridinyloxy)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa(e)pyrrolo (1,2-a)(1,4)diazacyclopentadecine-14a(5H)-carboxamide;AKOS025396424;PARITAPREVIR [INN];(1S,4R,6S,7Z,14S,18R)-N-(cyclopropanesulfonyl)-14-(5-methylpyrazine-2-amido)-2,15-dioxo-18-(phenanthridin-6-yloxy)-3,16-diazatricyclo[14.3.0.0,4,6]nonadec-7-ene-4-carboxamide;VIEKIRAX COMPONENT PARITAPREVIR;Paritaprevir(Veruprevir ABT-450)?;AS-75348;(2R,6S,12Z,13aS,14aR,16aS)-N-(Cyclopropylsulfonyl)-6-(5-methylpyrazin-2-carboxamido)-5,16-dioxo-2-(phenanthridin-6-yloxy)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16atetradecahydrocyclopropa(E)pyrrolo(1,2-a)(1,4)diazacyclopentadecine-14a(5H)-carboxamide;(2R,6S,12Z,13aR,14aR,16aS)-N-(cyclopropanesulfonyl)-6-[(5-methylpyrazine-2-carbonyl)amino]-5,16-dioxo-2-[(phenanthridin-6-yl)oxy]-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide;HY-12594;PARITAPREVIR [MI];PARITAPREVIR COMPONENT OF VIEKIRAX;BRD-K89920762-001-01-4;EN300-21959124;GLXC-10645;SCHEMBL3069964;CHEBI:85188;Paritaprevir(ABT-450);1221573-85-8;DA-66492;PARITAPREVIR [WHO-DD];(1S,4R,6S,7Z,14S,18R)-N-(cyclopropanesulfonyl)-14-(5-methylpyrazine-2-amido)-2,15-dioxo-18-(phenanthridin-6-yloxy)-3,16-diazatricyclo[14.3.0.0?,?]nonadec-7-ene-4-carboxamide;veruprevir (deprecated INN);AC-33061;(1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-14-((5-methylpyrazine-2-carbonyl)amino)-2,15-dioxo-18-phenanthridin-6-yloxy-3,16-diazatricyclo(14.3.0.04,6)nonadec-7-ene-4-carboxamide;PARITAPREVIR [VANDF];DB09297;paritaprevirum;(1S,4R,6S,7Z,14S,18R)-N-cyclopropylsulfonyl-14-[(5-methylpyrazine-2-carbonyl)amino]-2,15-dioxo-18-phenanthridin-6-yloxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide;s5404;

标识符

InChIKey:
UAUIUKWPKRJZJV-QPLHLKROSA-N
Inchi:
1S/C40H43N7O7S/c1-24-21-42-33(22-41-24)35(48)43-32-16-6-4-2-3-5-11-25-20-40(25,39(51)46-55(52,53)27-17-18-27)45-36(49)34-19-26(23-47(34)38(32)50)54-37-30-14-8-7-12-28(30)29-13-9-10-15-31(29)44-37/h5,7-15,21-22,25-27,32,34H,2-4,6,16-20,23H2,1H3,(H,43,48)(H,45,49)(H,46,51)/b11-5-/t25-,26-,32+,34+,40-/m1/s1
SMILES:
S(C1CC1)(NC([C@@]12C[C@H]1C=CCCCCC[C@@H](C(N1C[C@@H](C[C@H]1C(N2)=O)OC1C2C=CC=CC=2C2C=CC=CC=2N=1)=O)NC(C1C=NC(C)=CN=1)=O)=O)(=O)=O |c:11|

帕利瑞韦(1221573-85-8)物化性质

计算特性

  • 精确分子量 : 765.29446791 g/mol
  • 氢键供体数量 : 3
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 7
  • 同位素质量 : 765.29446791 g/mol
  • 重原子数量 : 55
  • 复杂度 : 1600
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 5
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 1
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 4.7
  • 拓扑分子极性表面积 : 198
  • 分子量 : 765.9

帕利瑞韦(1221573-85-8)推荐厂家 更多厂家(2)

公司名称手机号/电话联系人QQ微信询单
上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
询单
爱必信(上海)生物科技有限公司 18438616290
021-38015121
爱必信
询单
上海超岚化工科技中心 13301690235linda 3027278462
询单

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