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名称

ALLO-2

分子类型

未知

英文名称

ALLO-2

货号

A649877-5mg

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

ALLO-2 is a potent drug-resistant Smoothened (Smo) mutant antagonist that inhibits Smo agonist Hh-Ag1.5-induced luciferase expression in TM3-Gli-Luc cells with IC 50 of 6 nM Form:Solid IC50& Target:IC50: Smo

生化机理

ALLO-2 是一种强效的耐药性 Smoothened（Smo）突变体拮抗剂，能抑制 Smo 激动剂 Hh-Ag1.5 诱导的 TM3-Gli-Luc 细胞中荧光素酶的表达，IC 50 为 6 nM。

CAS号

1357350-60-7

分子式

C18H12F3N5O

分子量

371.3 g/mol

PubChem编号

76848956

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NC=C2)NC3=CC4=C(C=C3)NN=C4)OC(F)(F)F

IIUPAC Name

N-[4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]-1H-indazol-5-amine

INCHI

1S/C18H12F3N5O/c19-18(20,21)27-14-4-1-11(2-5-14)15-7-8-22-17(25-15)24-13-3-6-16-12(9-13)10-23-26-16/h1-10H,(H,23,26)(H,22,24,25)

InChi Key

QTYGEBIJNWMVCW-UHFFFAOYSA-N

Smiles

C1=CC(=CC=C1C2=NC(=NC=C2)NC3=CC4=C(C=C3)NN=C4)OC(F)(F)F

PubChem CID

76848956

溶解性

DMSO : 125 mg/mL (336.64 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

371.099 Da

单同位素质量Monoisotopic Mass

371.099 Da

拓扑极表面积Topological Polar Surface Area

75.700 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

486.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

4.600

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

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