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Product details

名称

KT182

分子类型

小分子

英文别名

英文名称

KT182

货号

K649966-5mg

包装规格

5mg

浓度

≥99%

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

KT182 is a potent and selective inhibitor of α/β-hydrolase domain containing 6 (ABHD6) , with an IC 50 of 0.24 nM in Neuro2A cells Form:Solid IC50& Target:IC50: 0.24 nM (ABHD6 in Neuro2A cells)

生化机理

KT182 是一种强效的含 α/β-hydrolase domain containing 6 (ABHD6) 选择性抑制剂，在 Neuro2A 细胞中的 IC 50 为 0.24 nM。

CAS号

1402612-62-7

分子式

C27H26N4O2

分子量

438.52 g/mol

PubChem编号

53364491

Isomeric SMILES

C1CCN(C(C1)C2=CC=CC=C2)C(=O)N3C=C(N=N3)C4=CC=C(C=C4)C5=CC=CC(=C5)CO

IIUPAC Name

[4-[4-[3-(hydroxymethyl)phenyl]phenyl]triazol-1-yl]-(2-phenylpiperidin-1-yl)methanone

INCHI

1S/C27H26N4O2/c32-19-20-7-6-10-24(17-20)21-12-14-22(15-13-21)25-18-31(29-28-25)27(33)30-16-5-4-11-26(30)23-8-2-1-3-9-23/h1-3,6-10,12-15,17-18,26,32H,4-5,11,16,19H2

InChi Key

GICNKPZHUCVFNM-UHFFFAOYSA-N

Smiles

C1CCN(C(C1)C2=CC=CC=C2)C(=O)N3C=C(N=N3)C4=CC=C(C=C4)C5=CC=CC(=C5)CO

PubChem CID

53364491

溶解性

DMSO : 100 mg/mL (228.04 mM; Need ultrasonic) Ethanol : 11 mg/mL (25.08 mM; Need ultrasonic and warming)

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

438.206 Da

单同位素质量Monoisotopic Mass

438.206 Da

拓扑极表面积Topological Polar Surface Area

71.300 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

632.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

4.400

RIDADR

NONHforallmodesoftransport

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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