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Product details

名称

MI-773

分子类型

小分子

英文名称

MI-773

货号

M647063-5mg

包装规格

5mg

浓度

≥98%

储存温度

2-8°C储存

运输条件

冰袋运输

产品介绍

MI-773 is a potent MDM2-p53 protein‐protein interaction (PPI) inhibitor with high binding affinity against MDM2 (K d =8.2 nM). MI-773 has antitumor activity. In Vitro SAR405838 (MI-77301), an analog of MI-773, displays 10 times higher binding affinity against MDM2 than MI-773 (K d =62 vs 8.2 nM). The antitumor activity of MI-77301 is more pronounced in a set of wild type p53 xenograft models than MI-773, including SJSA-1 osteosarcoma, human prostate, melanoma, colorectal tumor, LNCAP human prostate tumor and human acute lymphoblastic leukemia. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid

生化机理

MI-773 是一种强效的 MDM2-p53 蛋白-蛋白相互作用（PPI）抑制剂，与 MDM2 的结合亲和力很高（K d =8.2 nM）。MI-773 具有抗肿瘤活性。

CAS号

1303607-07-9

分子式

C29H34Cl2FN3O3

分子量

562.5 g/mol

PubChem编号

52938482

Isomeric SMILES

CC(C)(C)C[C@@H]1[C@]2([C@H]([C@@H](N1)C(=O)NC3CCC(CC3)O)C4=C(C(=CC=C4)Cl)F)C5=C(C=C(C=C5)Cl)NC2=O

IIUPAC Name

(2'R,3S,3'S,5'R)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-(4-hydroxycyclohexyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

INCHI

1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16?,17?,22-,23+,25-,29+/m1/s1

InChi Key

IDKAKZRYYDCJDU-YJRDPZTCSA-N

Smiles

CC(C)(C)CC1C2(C(C(N1)C(=O)NC3CCC(CC3)O)C4=C(C(=CC=C4)Cl)F)C5=C(C=C(C=C5)Cl)NC2=O

溶解性

DMSO : ≥ 53 mg/mL (94.22 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

561.196 Da

单同位素质量Monoisotopic Mass

561.196 Da

拓扑极表面积Topological Polar Surface Area

90.500 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

895

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

5.3

Reaxy-Rn

38308718

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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