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Product details

名称

PHT-7.3

分子类型

未知

英文名称

PHT-7.3

货号

P649641-5mg

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

PHT-7.3 is a selective inhibitor of connector enhancer of kinase suppressor of Ras 1 (Cnk1) pleckstrin homology (PH) domain ( K d =4.7 μM). PHT-7.3 inhibits mut-KRas, but not wild-type KRas cancer cell and tumor growth and signaling. PHT-7.3 has antitumor activity In Vivo PHT-7.3 (200 mg/kg; i.p.; daily; for 20 days) exhibits cytostatic antitumor activity in the mut-KRas(G12S) A549 xenograft and mut-KRasG12V H441 xenograft . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Female NOD-SCID mice (mut-KRas A549 NSCLC xenografts, mut-KRas H441 NSCLC xenografts) Dosage: 200 mg/kg Administration: Intraperitoneal injection, daily, for 20 days Result: Exhibited cytostatic antitumor activity in the mut-KRas(G12S) A549 xenograft and mut-KRasG12V H441 xenograft . Form:Solid IC50& Target:Cnk1 PH-domain

生化机理

PHT-7.3 是一种 Ras 1（Cnk1）pleckstrin homology（PH）结构域连接器增强激酶抑制剂的选择性抑制剂（K d =4.7 μM）。PHT-7.3 可抑制突变型 KRas 癌细胞和肿瘤的生长和信号传导，但不能抑制野生型 KRas 癌细胞和肿瘤的生长和信号传导。PHT-7.3 具有抗肿瘤作用。

CAS号

1614225-93-2

分子式

C24H23N3O3S

分子量

433.52 g/mol

PubChem编号

76287542

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)CC5OCCCO5

IIUPAC Name

4-(1,3-dioxan-2-ylmethyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phthalazin-1-one

INCHI

1S/C24H23N3O3S/c1-16-7-9-17(10-8-16)21-15-31-22(25-21)14-27-24(28)19-6-3-2-5-18(19)20(26-27)13-23-29-11-4-12-30-23/h2-3,5-10,15,23H,4,11-14H2,1H3

InChi Key

AFPMVLVIYVAFSP-UHFFFAOYSA-N

Smiles

CC1=CC=C(C=C1)C2=CSC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)CC5OCCCO5

PubChem CID

76287542

溶解性

DMSO : 62.5 mg/mL (144.17 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

433.146 Da

单同位素质量Monoisotopic Mass

433.146 Da

拓扑极表面积Topological Polar Surface Area

92.300 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

660

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

3.7

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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