CX-6258盐酸

Pim1 选择性抑制剂

10mM in DMSO

CAS编号: 1353859-00-3
分子式: C₂₆H₂₄ClN₃O₃.HCl
分子量: 498.4
PubChem编号: 72201040

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库存信息

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货号 (SKU)	包装规格	是否现货	价格	数量
C421345-1ml	1ml	现货

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Compound libraries (12326)

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基本描述

英文别名	(3E)-5-chloro-3-[[5-[3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)carbonyl]phenyl]-2-furanyl]methylene]-1,3-dihydro-2H-Indol-2-one,hydrochloride (1:1)
规格或纯度	10mM in DMSO
英文名称	CX-6258 HCl
生化机理	CX-6258 HCl 是一种强效口服泛 Pim 激酶抑制剂，对 Pim1、Pim2 和 Pim3 的 IC50 分别为 5 nM、25 nM 和 16 nM。
储存温度	-80℃储存
运输条件	超低温冰袋运输
产品介绍	Information CX-6258 HCl is a potent, orally efficacious pan-Pim kinaseinhibitor withIC50of 5 nM, 25 nM and 16 nM for Pim1, Pim2, and Pim3, respectively. Targets Pim1 (Cell-free assay); Pim3 (Cell-free assay); Pim2 (Cell-free assay) 5 nM; 16 nM; 25 nM In vitro CX-6258 shows antiproliferative activity against a panel of human cancer cell lines with IC50 of 0.02-3.7 μM, mostly sensitive to acute leukemia cell lines. Combinations of CX-6258 with doxorubicin (10:1 molar ratio) and CX-6258 with paclitaxel (100:1 molar ratio) produces synergistic cell killing with combination index (CI50) values equal to 0.4 and 0.56, respectively. CX-6258 causes dose dependent inhibition of the phosphorylation of two pro-survival proteins, Bad and 4E-BP1, at the Pim kinase specific sites S112 and S65 and T37/46, respectively. In vivo CX-6258 exhibits dose dependent efficacy in suppressing tumor growth in mice carrying MV-4-11 xenografts, with a 50 mg/kg dose producing 45% tumor growth inhibition (TGI) and a 100 mg/kg dose producing 75% TGI Cell Research(from reference) Cell lines：ALL, AML, CML, PML and MM cell lines Concentrations：~10 μM Incubation Time：96 hours

AI解读

产品属性

IC50	Pim1, IC50: 5 nM
ALogP	4.416
HBD Count	1
Rotatable Bond	3

名称和识别符

IUPAC Name	(3E)-5-chloro-3-[[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one;hydrochloride
INCHI	InChI=1S/C26H24ClN3O3.ClH/c1-29-10-3-11-30(13-12-29)26(32)18-5-2-4-17(14-18)24-9-7-20(33-24)16-22-21-15-19(27)6-8-23(21)28-25(22)31;/h2,4-9,14-16H,3,10-13H2,1H3,(H,28,31);1H/b22-16+;
InChi Key	YYIMMVXTWBIEAG-YHLMHSEJSA-N
Canonical SMILES	CN1CCCN(CC1)C(=O)C2=CC=CC(=C2)C3=CC=C(O3)C=C4C5=C(C=CC(=C5)Cl)NC4=O.Cl
Isomeric SMILES	CN1CCCN(CC1)C(=O)C2=CC=CC(=C2)C3=CC=C(O3)/C=C/4\C5=C(C=CC(=C5)Cl)NC4=O.Cl
PubChem CID	72201040
分子量	498.4

化学和物理性质

DMSO(mg / mL) Max Solubility	57
DMSO(mM) Max Solubility	114.3659711
Water(mg / mL) Max Solubility	89
Water(mM) Max Solubility	178.5714286
分子量	498.400 g/mol
XLogP3
氢键供体数Hydrogen Bond Donor Count	2
氢键受体数Hydrogen Bond Acceptor Count	4
可旋转键计数Rotatable Bond Count	3
精确质量Exact Mass	497.127 Da
单同位素质量Monoisotopic Mass	497.127 Da
拓扑极表面积Topological Polar Surface Area	65.800 Å²
重原子数Heavy Atom Count	34
形式电荷Formal Charge	0
复杂度Complexity	774.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	1
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	1
共价键合单元计数Covalently-Bonded Unit Count	2