GSK-3β inhibitor 2

COA

级别和纯度:

≥96%

CAS编号: 1702428-31-6
分子式: C₁₄H₁₄N₄O₃S
分子量: 318.35
PubChem编号: 73333976

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货号 (SKU)	包装规格	是否现货
G649951-5mg	5mg	期货
G649951-10mg	10mg	期货
G649951-50mg	50mg	期货
G649951-100mg	100mg	期货

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基本描述

别名	GSK-3β 抑制剂 2
规格或纯度	≥96%
英文名称	GSK-3β inhibitor 2
生化机理	GSK-3β 抑制剂 2（化合物 3）是一种强效、选择性和口服活性 GSK-3β 抑制剂，其 IC 50 为 1.1 nM。GSK-3β 抑制剂 2 可以穿过血脑屏障。GSK-3β 抑制剂 2 具有治疗阿尔茨海默病的潜力。
储存温度	-20°C储存
运输条件	超低温冰袋运输
作用类型	抑制剂
产品介绍	GSK-3β inhibitor 2 (Compound 3) is a potent, selective and orally active GSK-3β inhibitor with an IC 50 of 1.1 nM. GSK-3β inhibitor 2 can cross the blood-brain barrier. GSK-3β inhibitor 2 has the potential for Alzheimer's disease In Vitro The pyridine carboxamide of GSK-3β inhibitor 2 (Compound 3) makes hydrogen bonds with the hinge V135 backbone amide, and the carbonyl oxygen of the thiazolyl primary amide formed a critical hydrogen bond with K85. The quality of the electron density for the methyl group of the methoxy moiety in GSK-3β inhibitor 2 does not allow its unambiguous placement in the model, but a small molecule crystal structure of GSK-3β inhibitor 2 determined by single crystal X-ray diffraction method confirmed the intramolecular hydrogen bonding between the methoxy -O- and the amide N-H in GSK-3β inhibitor 2. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo The elevation of hyperphosphorylated Tau (pTau) is mimicked in LaFerla 3xTg-C57BL6 mice, and accordingly, these mice are used as an in vivo model of Alzheimer’s disease. GSK-3β inhibitor 2 (Compound 3) shows a significant reduction in pTau396 when administered orally at 30 mg/kg as a nanosuspension to LaFerla 3xTg-C57BL6 male mice. GSK-3β inhibitor 2 shows only modest brain exposure (B/P = 0.26) as determined as a single time point . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:GSK-3β 1.1 nM (IC 50 )
纯度	≥96%

关联靶点（人）

GSK3B Tclin 糖原合酶激酶-3β(Glycogen synthase kinase-3 beta) (2 活性数据)

点击查看靶蛋白信息： GSK3B

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

ACHE Tclin Acetylcholinesterase (18204 活性数据)

点击查看靶蛋白信息： ACHE

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 活性数据)

点击查看靶蛋白信息： GSK3B

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

BCHE Tclin Butyrylcholinesterase (7174 活性数据)

点击查看靶蛋白信息： BCHE

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

关联靶点（其它种属）

Mus musculus (284745 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

分子类型	小分子
IIUPAC Name	2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide
INCHI	1S/C14H14N4O3S/c1-21-13-10(11(15)19)22-14(18-13)8-4-5-16-9(6-8)17-12(20)7-2-3-7/h4-7H,2-3H2,1H3,(H2,15,19)(H,16,17,20)
InChi Key	CYADPSMQNARVII-UHFFFAOYSA-N
Smiles	COC1=C(SC(=N1)C2=CC(=NC=C2)NC(=O)C3CC3)C(=O)N
Isomeric SMILES	COC1=C(SC(=N1)C2=CC(=NC=C2)NC(=O)C3CC3)C(=O)N
PubChem CID	73333976
分子量	318.35

化学和物理性质

溶解性	DMSO : 5 mg/mL (15.71 mM; Need ultrasonic)
分子量	318.350 g/mol
XLogP3	1.000
氢键供体数Hydrogen Bond Donor Count	2
氢键受体数Hydrogen Bond Acceptor Count	6
可旋转键计数Rotatable Bond Count	5
精确质量Exact Mass	318.079 Da
单同位素质量Monoisotopic Mass	318.079 Da
拓扑极表面积Topological Polar Surface Area	135.000 Å²
重原子数Heavy Atom Count	22
形式电荷Formal Charge	0
复杂度Complexity	446.000
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	1

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