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托法替尼 | 477600-75-2

托法替尼
Tofacitinib
477600-75-2
C16H20N6O
312.3696
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:托法替尼结构式
9926791
托法替尼价格
简介
Tofacitinib是 JAK3/2/1 抑制剂,IC50 分别为1,20 和 112 nM。
名称和标识符
MDL MFCD11035919
InChIKey UJLAWZDWDVHWOW-YPMHNXCESA-N
Inchi 1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
SMILES O=C(C([H])([H])C#N)N1C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]([H])(C1([H])[H])N(C([H])([H])[H])C1C2C([H])=C([H])N([H])C=2N=C([H])N=1
别名信息
- 中文别名 -
  • 3-((3R,4R)-4-甲基-3-(甲基(7H-吡咯并[2,3-d]嘧啶-4-基)氨基)哌啶-1-基)-3-氧代丙腈
  • 1,4-二氯-2,5-二甲氧基苯
  • 13C、15N和2H氘同时标记的标准品
  • 3-((3R,4R)-4-甲基-3-(甲基(7H-吡咯并[2,3-d]嘧啶-4-基)氨基派啶-1-基)-3-氧代丙腈
  • CP 690550(托法替尼)
  • 他索西替尼 ,托法替尼
  • 托法替布
  • 托法替尼(Tofacitinib,CP-690550)
  • 托法替尼碱
  • 托法替尼碱CP 690550
  • 托法替尼
- 英文别名 -
  • CP 690550
  • 3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile
  • Tofacitinib CP690550 Tasocitinib
  • Tofacitinib citrate
  • (3R,4R)-4-methyl-3-(methyl-1H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-1-piperidinepropanenitrile
  • 1-Piperidinepropanenitrile, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-b-oxo-, (3R,4R)-
  • 1-Piperidinepropanenitrile, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-, (...
  • 3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-oxopiperidin-1-yl)propanenitrile
  • 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile(CP-690550)
  • CP 690550 Tofacitinib
  • CP-690550
  • oxopropanenitrile
  • Tasocitinib
  • Tasocitinib-CP690550
  • Tofacitinib
  • Tofacitinib (CP-690550,Tasocitinib)
  • racemic-tofacitinib
  • tofacitinibum
  • 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile
  • 3-((3R,4R)-rel-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile
  • CP-690,550
  • Cp-690 free base
  • HSDB 8311
  • DTXCID00119762
  • AKOS005145814
  • MFCD11035919
  • 477600-75-2 (free base)
  • Tofacitinib (CP-690550)
  • CHEBI:71200
  • CCG-264998
  • BRD-K31283835-048-04-4
  • TOFACITINIB [INN]
  • GS-6106
  • s2789
  • DTXSID90197271
  • D09970
  • NSC-782351
  • BCPP000274
  • 3-[(3R*,4R*)-4-Methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
  • AKOS005258733
  • 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-piperidyl]-3-oxo-propanenitrile
  • (+)-TOFACITINIB
  • MI1
  • NCGC00229511-02
  • J-524314
  • rac-Tofacitinib
  • 4oti
  • EN300-1718468
  • AC-8193
  • Tofacitinib (CP-690550, Tasocitinib)
  • 3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile
  • DB08895
  • Tofacitinib (USAN)
  • CP-690,550 FREE BASE
  • 3-[(3R,4R)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile
  • 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
  • C16H20N6O
  • CP-690-550
  • NCGC00229511-04
  • NSC800953
  • 1-PIPERIDINEPROPANENITRILE, 4-METHYL-3-(METHYL-7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLAMINO)-.BETA.-OXO-, (3R,4R)-
  • EX-A205
  • CP- 690 550
  • HY-40354
  • Tofacitinib [USAN:INN]
  • 3-{(3R,4R)-4-Methyl-3-[methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amino]-piperidin-1-yl}-3-oxo-propionitrile
  • 477600-75-2
  • AR-270/43507983
  • NSC-800953
  • BRD-K31283835-001-01-9
  • Q3530324
  • GTPL5677
  • racemic-Tasocitinib
  • 1259404-17-5
  • 1-PIPERIDINEPROPANENITRILE, 4-METHYL-3-(METHYL-7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLAMINO)-beta-OXO-, (3R,4R)-
  • AB01565786_02
  • (3R,4R)-4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-beta-oxo-1-piperidine propanenitrile
  • CP-690550 FREE BASE
  • 3-{(3R,4R)-4-methyl-3-[methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amino]piperidin-1-yl}-3-oxo-propionitrile
  • BCP9000550
  • Tofacitinib
  • 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile
  • NCGC00229511-10
  • UJLAWZDWDVHWOW-YPMHNXCESA-N
  • TOFACITINIB [WHO-DD]
  • CP690,550
  • 3-{(3R,4R)-4-Methyl-3-[methyl-(7H-pyrrolo[2,3-d]pyrimidin4-yl)-amino]-piperidin-1-yl}-3-oxo-propionitrile
  • SCHEMBL322753
  • 3lxk
  • CP690550
  • CS-0050
  • 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile citrate
  • L04AA29
  • 3-{4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-piperidinyl}-3-oxopropanenitrile
  • (3R,4R)-3-{4-Methyl-3-[methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amino]-piperidin-1-yl}-3-oxo-propionitrile
  • NS00069315
  • AMY3992
  • 3-Piperidinamine, 1-(cyanoacetyl)-4-methyl-N-methyl-N-1H-pyrrolo(2,3-d)pyrimidin-4-yl-, (3R,4R)-
  • CHEMBL221959
  • NSC782351
  • NCGC00244463-01
  • JAK inhibitors: tofacitinib
  • 3eyg
  • 3fup
  • TOFACITINIB [MI]
  • BDBM50193995
  • 87LA6FU830
  • Tofacitinib [USAN]
  • UNII-87LA6FU830
  • A7301
  • TOFACITINIB [VANDF]
  • 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile
物化性质
实验特性
LogP 1.48268
PSA 88.91000
折射率 1.646
沸点 585.8±50.0 °C at 760 mmHg
熔点 No data available
闪点 308.1±30.1 °C
颜色与性状 No data available
密度 1.3
计算特性
精确分子量 312.17000
氢键供体数量 1
氢键受体数量 5
可旋转化学键数量 3
同位素质量 312.16985928g/mol
重原子数量 23
复杂度 488
同位素原子数量 0
确定原子立构中心数量 2
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 1
疏水参数计算参考值(XlogP) 1.5
拓扑分子极性表面积 88.9
海关数据
海关编码 29335990
专业数据库参考
PubChemId 9926791
参考资料
Beilstein MFCD11616529
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