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Product details

名称

MI-1061

分子类型

小分子

英文名称

MI-1061

货号

M650198-5mg

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

MI-1061 is a potent, orally bioavailable, and chemically stable MDM2 (MDM2-p53 interaction) inhibitor ( IC 50 =4.4 nM; K i =0.16 nM). MI-1061 potently activates p53 and induces apoptosis in the SJSA-1 xenograft tumor tissue in mice. Anti-tumor activity In Vitro MI-1061 achieves IC 50 =100 and 250 nM in the SJSA-1 and HCT-116 p53 +/+ cell lines, respectively, and has IC 50 >10000 nM in the p53 knockout cell line HCT-116 p53 –/– cell line. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo MI-1061 (100 mg/kg; p.o.; daily for 14 days) is capable of achieving tumor regression in the SJSA-1 xenograft tumor model in mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: SCID mice bearing SJSA-1 osteosarcoma xenografts Dosage: 100 mg/kg Administration: P.o.; daily for 14 days Result: Demonstrated strong antitumor activity and achieved significant tumor regression. Form:Solid IC50& Target:IC50: 4.4 nM (MDM2),Ki: 0.16 nM (MDM2)

生化机理

MI-1061 是一种强效、口服生物利用度高、化学性质稳定的 MDM2（MDM2-p53 相互作用）抑制剂（IC 50 =4.4 nM；K i =0.16 nM）。MI-1061 能有效激活 p53 并诱导小鼠 SJSA-1 异种移植肿瘤组织凋亡。抗肿瘤活性 [1

CAS号

1410737-34-6

分子式

C30H26Cl2FN3O4

分子量

582.45 g/mol

PubChem编号

70677271

Isomeric SMILES

C1CCC2(CC1)[C@@]3([C@H]([C@@H](N2)C(=O)NC4=CC=C(C=C4)C(=O)O)C5=C(C(=CC=C5)Cl)F)C6=C(C=C(C=C6)Cl)NC3=O

INCHI

1S/C30H26Cl2FN3O4/c31-17-9-12-20-22(15-17)35-28(40)30(20)23(19-5-4-6-21(32)24(19)33)25(36-29(30)13-2-1-3-14-29)26(37)34-18-10-7-16(8-11-18)27(38)39/h4-12,15,23,25,36H,1-3,13-14H2,(H,34,37)(H,35,40)(H,38,39)/t23-,25+,30+/m0/s1

InChi Key

BIDSEXPFIMKDMF-LOLKONATSA-N

Smiles

C1CCC2(CC1)C3(C(C(N2)C(=O)NC4=CC=C(C=C4)C(=O)O)C5=C(C(=CC=C5)Cl)F)C6=C(C=C(C=C6)Cl)NC3=O

PubChem CID

70677271

MeSH Entry Terms

4-(6''-chloro-4'-(3-chloro-2-fluorophenyl)-2''-oxodispiro(cyclohexane-1,2'-pyrrolidine-3',3''-indoline)-5'-carboxamido)benzoic acid;MI-1061

溶解性

DMSO : 160 mg/mL (274.70 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

581.128 Da

单同位素质量Monoisotopic Mass

581.128 Da

拓扑极表面积Topological Polar Surface Area

108.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

1000.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

2.900

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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