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名称

干细胞及 Wnt 通路

分子类型

未知

别名

(3S,4S)-托法替尼

英文别名

1-PIPERIDINEPROPANENITRILE, 4-METHYL-3-(METHYL-7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLAMINO)-.BETA.-OXO-, (3S,4S)- | 3-[(3S,4S)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile | NCGC00348153-01 | racemic-Tasocitinib |

英文名称

(3S,4S)-Tofacitinib

货号

T127245-10mg

包装规格

10mg

浓度

≥96%

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

Tofacitinib是高效JAK3抑制剂，IC50为1 nM，比对JAK2和JAK1的抑制性高20倍和100倍。 Tofacitinib is a novel inhibitor of JAK3 with IC50 of 1 nM, 20- to 100-fold less potent against JAK2 and JAK1.

生化机理

Tasocitinib 又名 CP690550，是一种 JAK 激酶抑制剂。对 PV 患者祖细胞的 IC50 值估计为 0.2 μM。

CAS号

1092578-47-6

分子式

C16H20N6O

分子量

312.37 g/mol

EC号

PubChem SID: 488199775

PubChem编号

20111936

Isomeric SMILES

C[C@H]1CCN(C[C@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N

IIUPAC Name

3-[(3S,4S)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile

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+/m0/s1

InChi Key

UJLAWZDWDVHWOW-WCQYABFASA-N

Smiles

CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N

PubChem CID

20111936

PubChem SID

488199775

溶解性

DMSO 100 mg/mL Ethanol 100 mg/mL

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

312.17 Da

单同位素质量Monoisotopic Mass

312.17 Da

拓扑极表面积Topological Polar Surface Area

88.900 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

488

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.5

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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