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Product details

名称

DDO-5936

分子类型

未知

英文名称

DDO-5936

货号

D647795-5mg

包装规格

5mg

浓度

≥95%

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

DDO-5936 is a potent and specific Hsp90-Cdc37 PPI inhibitor. DDO-5936 can be used for the research of colorectal cancer In Vitro DDO-5936 is a Hsp90-Cdc37 PPI inhibitor with potency and specificity through binding to a critical site on Hsp90 involving Glu47. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo DDO-5936 (0~80 mg/kg; p.o.) shows effect at the high dose group . DDO-5936 is well tolerated for the absence of serious weight loss. DDO-5936 high dose groups show that tumor cells in the xenografts decreased significantly. DDO-5936 shows limited oral efficiency . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Mice Dosage: 0~80 mg/kg Administration: P.o. Result: Showed a moderate effect at the high dose group. Form:Solid IC50& Target:Hsp90-Cdc37 PPI

生化机理

DDO-5936 是一种强效的特异性 Hsp90-Cdc37 PPI 抑制剂。DDO-5936 可用于结直肠癌的研究。

CAS号

2355377-13-6

分子式

C25H29N5O4S

分子量

495.6 g/mol

PubChem编号

141756475

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC(=O)O)C2=CC=C(C=C2)NC3=NC(=NC=C3)N4CCCC4)C

IIUPAC Name

2-[4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-N-(2,4,6-trimethylphenyl)sulfonylanilino]acetic acid

INCHI

1S/C25H29N5O4S/c1-17-14-18(2)24(19(3)15-17)35(33,34)30(16-23(31)32)21-8-6-20(7-9-21)27-22-10-11-26-25(28-22)29-12-4-5-13-29/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H,31,32)(H,26,27,28)

InChi Key

IIPYRKNROAWEPK-UHFFFAOYSA-N

Smiles

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC(=O)O)C2=CC=C(C=C2)NC3=NC(=NC=C3)N4CCCC4)C

PubChem CID

141756475

溶解性

DMSO : 12.5 mg/mL (25.22 mM; ultrasonic and warming and heat to 60°C)

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

495.194 Da

单同位素质量Monoisotopic Mass

495.194 Da

拓扑极表面积Topological Polar Surface Area

124.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

795.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

4.400

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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