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名称

Cav 2.2阻断剂1

分子类型

小分子

英文别名

compound 91H-Pyrazole,5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(tetrahydro-2,2,6,6-tetramethyl-2H-pyran-4-yl)-

英文名称

Cav 2.2 blocker 1

货号

C412110-100mg

包装规格

100mg

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

Information Cav 2.2 blocker 1 Cav 2.2 blocker 1 (compound 9) is a N-type calcium channel (Cav 2.2) blocker for the treatment of pain with IC50 of 0.001 μM. Targets Cav 2.2 (Cell-free assay) 0.001 μM

生化机理

Cav 2.2 阻滞剂 1（化合物 9）是一种治疗疼痛的 N 型钙通道（Cav 2.2）阻滞剂，其 IC50 值为 0.001 μM。

CAS号

1567335-29-8

分子式

C25H29ClN2O2

分子量

424.96 g/mol

EC号

PubChem SID: 504772317

PubChem编号

73292924

Isomeric SMILES

CC1(CC(CC(O1)(C)C)C2=NN(C(=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4OC)C

IIUPAC Name

5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole

INCHI

1S/C25H29ClN2O2/c1-24(2)15-18(16-25(3,4)30-24)20-14-22(17-10-12-19(26)13-11-17)28(27-20)21-8-6-7-9-23(21)29-5/h6-14,18H,15-16H2,1-5H3

InChi Key

LDURKOGJFOYENC-UHFFFAOYSA-N

Smiles

CC1(CC(CC(O1)(C)C)C2=NN(C(=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4OC)C

PubChem SID

504772317

溶解性

Solubility (25°C) In vitro Ethanol: 15 mg/mL (35.29 mM); DMSO: 12 mg/mL (28.23 mM); Water: Insoluble;

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

424.192 Da

单同位素质量Monoisotopic Mass

424.192 Da

拓扑极表面积Topological Polar Surface Area

36.300 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

559

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

5.8

ALogP

6.318

Reaxy-Rn

26613042

DMSO(mg / mL) Max Solubility

DMSO(mM) Max Solubility

28.23795181

Water(mg / mL) Max Solubility

＜1

hba_count

Rotatable Bond

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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