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Product details

名称

IDH889

分子类型

小分子

英文名称

IDH889

货号

I650995-5mg

包装规格

5mg

浓度

≥98%

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

IDH889 is an orally available, brain penetrant, allosteric and mutant specific inhibitor of isocitrate dehydrogenase 1 (IDH1) . IDH889 has potent selectivity for IDH1 R132* mutations, with IC 50 s of 0.02 μM, 0.072 μM and 1.38 μM for IDH1 R132H , IDH1 R132C and IDH1 wt , respectively. IDH889 shows potent cellular inhibition of R-2-hydroxyglutarate (2-HG) production with an IC 50 of 0.014 μM Form:Solid IC50& Target:IC50: 0.02 μM (IDH1 R132H ), 0.072 μM (IDH1 R132C ), 1.38 μM (IDH1 wt )

生化机理

IDH889 是异柠檬酸脱氢酶 1（IDH1）的一种口服、脑穿透、异位和突变特异性抑制剂。IDH889 对 IDH1 R132* 突变具有强效选择性，对 IDH1 R132H、IDH1 R132H 和 IDH1 R132* 突变的 IC 50 s 分别为 0.02 μM、0.072 μM 和 1.38 μM。

CAS号

1429179-07-6

分子式

C23H25FN6O2

分子量

436.48 g/mol

PubChem编号

71542286

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CN=C(N=C2)[C@H](C)NC3=NC=CC(=N3)N4[C@H](COC4=O)C(C)C)F

IIUPAC Name

(4S)-3-[2-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

INCHI

1S/C23H25FN6O2/c1-13(2)19-12-32-23(31)30(19)20-7-8-25-22(29-20)28-15(4)21-26-10-17(11-27-21)16-5-6-18(24)14(3)9-16/h5-11,13,15,19H,12H2,1-4H3,(H,25,28,29)/t15-,19+/m0/s1

InChi Key

JDCYIMQAIKEACU-HNAYVOBHSA-N

Smiles

CC1=C(C=CC(=C1)C2=CN=C(N=C2)C(C)NC3=NC=CC(=N3)N4C(COC4=O)C(C)C)F

PubChem CID

71542286

溶解性

DMSO : 200 mg/mL (458.21 mM; Need ultrasonic)

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

436.202 Da

单同位素质量Monoisotopic Mass

436.202 Da

拓扑极表面积Topological Polar Surface Area

93.100 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

632.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

4.100

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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