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Product details

名称

有机砌块

英文名称

3-(2,4-Dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)-N-(3-(methylthio)phenyl)propanamide

货号

D1305740-1mg

包装规格

1mg

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

Pantothenate kinase-IN-2 是一种有效的泛酸激酶1/3 (PanK1/3)抑制剂，其IC50分别为 0.14 μM 和 0.36 μM。Pantothenate kinase-IN-2是 PKAN (PanK-相关性神经变性) 和糖尿病研究中很有前景的化合物。

CAS号

902614-04-4

分子量

391.500 g/mol

PubChem编号

20867564

Isomeric SMILES

CC1=C(C(=NC2=C3C=CC=NC3=NN12)C)CCC(=O)NC4=CC(=CC=C4)SC

IIUPAC Name

3-(4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)-N-(3-methylsulfanylphenyl)propanamide

INCHI

1S/C21H21N5OS/c1-13-17(9-10-19(27)24-15-6-4-7-16(12-15)28-3)14(2)26-21(23-13)18-8-5-11-22-20(18)25-26/h4-8,11-12H,9-10H2,1-3H3,(H,24,27)

InChi Key

UNCZUEUPSJKHGB-UHFFFAOYSA-N

Smiles

CC1=C(C(=NC2=C3C=CC=NC3=NN12)C)CCC(=O)NC4=CC(=CC=C4)SC

PubChem CID

20867564

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

391.147 Da

单同位素质量Monoisotopic Mass

391.147 Da

拓扑极表面积Topological Polar Surface Area

97.500 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

549.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

3.300

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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