JNJ-47117096 hydrochloride

COA

级别和纯度:

≥98%

CAS编号: 1610536-69-0
分子式: C₂₁H₂₃ClN₄O₂
分子量: 398.89
PubChem编号: 132472238

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货号 (SKU)	包装规格	是否现货
J650437-5mg	5mg	期货
J650437-10mg	10mg	期货
J650437-50mg	50mg	期货

查看相关系列

FLT3 (103) MELK (11) PI3K/Akt/mTOR (764) Protein Tyrosine Kinase/RTK (1319) Receptor Tyrosine Kinase (2808)

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基本描述

别名	JNJ-47117096 盐酸盐
规格或纯度	≥98%
英文名称	JNJ-47117096 hydrochloride
生化机理	JNJ-47117096 盐酸盐是一种强效的选择性 MELK 抑制剂，IC 50 为 23 nM，也能有效抑制 Flt3，IC 50 为 18 nM。
储存温度	2-8°C储存,干燥
运输条件	冰袋运输
作用类型	抑制剂
产品介绍	JNJ-47117096 hydrochloride is potent and selective MELK inhibitor, with an IC 50 of 23 nM, also effectively inhibits Flt3 , with an IC 50 of 18 nM. In Vitro JNJ-47117096 hydrochloride is potent and selective MELK inhibitor, with an IC 50 of 23 nM, also effectively inhibits Flt3, with an IC 50 of 18 nM, and slighitly blocks CAMKIIδ, Mnk2, CAMKIIγ, and MLCK (IC 50 , 810 nM, 760 nM, 1000 nM, 1000 nM). JNJ-47117096 (MELK-T1) suppresses the proliferation of Flt3-driven Ba/F3 cell lines, with an IC 50 of 1.5 μM in the absence of IL-3, while no inhibitory activity is observed in the presence of IL-3. JNJ-47117096 does not inhibit the proliferation of Ba/F3 cell lines transfected with either FGFR1, FGFR3, or KDR, either in the presence or absence of IL-3. JNJ-47117096 (MELK-T1, 10 μM) delays the progression of MCF-7 cells through S-phase. JNJ-47117096 inhibits MELK, and then exerts stalled replication forks and DNA double-strand breaks (DSBs). JNJ-47117096 activates the ATM-mediated DNA-damage response (DDR). JNJ-47117096 (3, 10 μM) results in a growth arrest and a senescent phenotype. Moreover, JNJ-47117096 induces a strong phosphorylation of p53, a prolonged up-regulation of p21 and a down-regulation of FOXM1 target genes. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:IC50: 23 nM (MELK), 18 nM (Flt3)
纯度	≥98%

名称和识别符

IIUPAC Name	2-methoxy-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide;hydrochloride
INCHI	1S/C21H22N4O2.ClH/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18;/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26);1H
InChi Key	OXRWZUUCCUDKJJ-UHFFFAOYSA-N
Smiles	COC1=C(C=CC(=C1)C2=CNN=C2)C(=O)NC3=CC4=C(CCNCC4)C=C3.Cl
PubChem CID	132472238
分子量	398.89

化学和物理性质

溶解性	DMSO : ≥ 250 mg/mL (626.74 mM) H2O : 3.33 mg/mL (8.35 mM; ultrasonic and warming and heat to 60°C)
分子量	398.900 g/mol
XLogP3
氢键供体数Hydrogen Bond Donor Count	4
氢键受体数Hydrogen Bond Acceptor Count	4
可旋转键计数Rotatable Bond Count	4
精确质量Exact Mass	398.151 Da
单同位素质量Monoisotopic Mass	398.151 Da
拓扑极表面积Topological Polar Surface Area	79.000 Å²
重原子数Heavy Atom Count	28
形式电荷Formal Charge	0
复杂度Complexity	503.000
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	0
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	0
共价键合单元计数Covalently-Bonded Unit Count	2

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