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Product details

名称

Mutant IDH1-IN-1

别名

突变型IDH1-IN-1

英文名称

Mutant IDH1-IN-1

货号

M649605-5mg

包装规格

5mg

浓度

≥99%

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

Mutant IDH1-IN-1 is a mutant-selective IDH1 inhibitor with with IC 50 s of 4, 42, 80 and 143 nM against mutant IDH1 R132C/R132C, IDH1 R132H/R132H, IDH1 R132H/WT and wild type IDH1 , respectively. Form:Solid IC50& Target:IDH1

生化机理

突变 IDH1-IN-1 是一种突变选择性 IDH1 抑制剂，对突变 IDH1 R132C/R132C、IDH1 R132H/R132H、IDH1 R132H/WT 和野生型 IDH1 的 IC 50 s 分别为 4、42、80 和 143 nM。

CAS号

1355326-21-4

分子式

C30H31FN4O2

分子量

498.59 g/mol

PubChem编号

89696514

Isomeric SMILES

CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=NC5=CC=CC=C54

IIUPAC Name

2-(N-[2-(benzimidazol-1-yl)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide

INCHI

1S/C30H31FN4O2/c1-21-10-5-6-15-25(21)29(30(37)33-23-12-3-2-4-13-23)35(24-14-9-11-22(31)18-24)28(36)19-34-20-32-26-16-7-8-17-27(26)34/h5-11,14-18,20,23,29H,2-4,12-13,19H2,1H3,(H,33,37)

InChi Key

DXYIOARJXVTYJW-UHFFFAOYSA-N

Smiles

CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=NC5=CC=CC=C54

PubChem CID

89696514

溶解性

DMSO : ≥ 45 mg/mL (90.25 mM)

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

498.243 Da

单同位素质量Monoisotopic Mass

498.243 Da

拓扑极表面积Topological Polar Surface Area

67.200 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

775

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

5.9

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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