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名称

K-Ras G12C-IN-3

英文别名

1-[4-[(2',5',6-Trichloro-4-methoxy[1,1'-biphenyl]-3-yl)carbonyl]-1-piperazinyl]-2-propen-1-one | HY-18606 | 1-[4-[4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzoyl]piperazin-1-yl]prop-2-en-1-one | A911093 | DTXSID901118534 | 1629268-19-4 | 1-(4-(2',5',6-tr

英文名称

K-Ras G12C-IN-3

货号

K646591-5mg

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

K-Ras G12C-IN-3 is a novel and irreversible inhibitor of mutant K-ras G12C.IC50 value:Target: K-ras G12C inhibitorFor more information, please see the following patent.Heterocyclic compounds as covalent inhibitors of G12C mutant K-Ras protein useful for treating cancers, and preparation thereofBy Ren, Pingda; Liu, Yi; Li, Liansheng; Feng, Jun; Wu, TaoFrom PCT Int. Appl. (2014), WO 2014152588 A1 20140925. Form:Solid

生化机理

K-Ras G12C-IN-3 是一种新型不可逆的突变 K-ras G12C 抑制剂：更多信息，请参阅以下专利：\nHeterocyclic compounds as covalent inhibitors of G12C mutant K-Ras protein usef

CAS号

1629268-19-4

分子式

C21H19Cl3N2O3

分子量

453.75 g/mol

PubChem编号

92044410

Isomeric SMILES

COC1=C(C=C(C(=C1)Cl)C2=C(C=CC(=C2)Cl)Cl)C(=O)N3CCN(CC3)C(=O)C=C

IIUPAC Name

1-[4-[4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzoyl]piperazin-1-yl]prop-2-en-1-one

INCHI

1S/C21H19Cl3N2O3/c1-3-20(27)25-6-8-26(9-7-25)21(28)16-11-15(18(24)12-19(16)29-2)14-10-13(22)4-5-17(14)23/h3-5,10-12H,1,6-9H2,2H3

InChi Key

RPBHAPLCWWQJAK-UHFFFAOYSA-N

Smiles

COC1=C(C=C(C(=C1)Cl)C2=C(C=CC(=C2)Cl)Cl)C(=O)N3CCN(CC3)C(=O)C=C

PubChem CID

92044410

关联CAS

1629268-19-4

溶解性

DMSO : ≥ 30 mg/mL (66.12 mM)

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

452.046 Da

单同位素质量Monoisotopic Mass

452.046 Da

拓扑极表面积Topological Polar Surface Area

49.900 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

612.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

4.700

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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