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Product details

名称

KT203

分子类型

小分子

英文别名

英文名称

KT203

货号

K648961-5mg

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

KT203 is a potent and selective inhibitor of α/β-hydrolase domain containing 6 (ABHD6) , with an IC 50 of 0.31 nM in Neuro2A cells Form:Solid IC50& Target:IC50: 0.31 nM (ABHD6 in Neuro2A cells)

生化机理

KT203 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 0.31 nM。

CAS号

1402612-64-9

分子式

C28H26N4O3

分子量

466.53 g/mol

PubChem编号

53364510

Isomeric SMILES

C1CCN(C(C1)CC2=CC=CC=C2)C(=O)N3C=C(N=N3)C4=CC=C(C=C4)C5=CC(=CC=C5)C(=O)O

IIUPAC Name

3-[4-[1-(2-benzylpiperidine-1-carbonyl)triazol-4-yl]phenyl]benzoic acid

INCHI

1S/C28H26N4O3/c33-27(34)24-10-6-9-23(18-24)21-12-14-22(15-13-21)26-19-32(30-29-26)28(35)31-16-5-4-11-25(31)17-20-7-2-1-3-8-20/h1-3,6-10,12-15,18-19,25H,4-5,11,16-17H2,(H,33,34)

InChi Key

SSSCOJOXPDDHOO-UHFFFAOYSA-N

Smiles

C1CCN(C(C1)CC2=CC=CC=C2)C(=O)N3C=C(N=N3)C4=CC=C(C=C4)C5=CC(=CC=C5)C(=O)O

PubChem CID

53364510

溶解性

DMSO : 100 mg/mL (214.35 mM; Need ultrasonic)

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

466.2 Da

单同位素质量Monoisotopic Mass

466.2 Da

拓扑极表面积Topological Polar Surface Area

88.300 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

719.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

5.300

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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