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Product details

名称

N-[4-(3-chloro-4-fluoroanilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-5-yl]prop-2-enamide;4-methylbenzenesulfonic acid, 受体蛋白-酪氨酸激酶 erbB-2 抑制剂

分子类型

小分子

别名

N-[4-(3-氯-4-氟苯胺基)-7-[3-甲基-3-(4-甲基哌嗪-1-基)丁-1-炔基]喹唑啉-5-基]丙-2-烯酰胺；4-甲基苯磺酸

英文别名

CHEMBL5095024

英文名称

N-[4-(3-chloro-4-fluoroanilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-5-yl]prop-2-enamide;4-methylbenzenesulfonic acid

货号

N671375-1mg

包装规格

1mg

分子式

C41H44ClFN6O7S2

分子量

851.4 g/mol

PubChem编号

166625215

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C#CC1=CC2=C(C(=C1)NC(=O)C=C)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N4CCN(CC4)C

IIUPAC Name

N-[4-(3-chloro-4-fluoroanilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-5-yl]prop-2-enamide;4-methylbenzenesulfonic acid

INCHI

1S/C27H28ClFN6O.2C7H8O3S/c1-5-24(36)33-23-15-18(8-9-27(2,3)35-12-10-34(4)11-13-35)14-22-25(23)26(31-17-30-22)32-19-6-7-21(29)20(28)16-19;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-7,14-17H,1,10-13H2,2-4H3,(H,33,36)(H,30,31,32);2*2-5H,1H3,(H,8,9,10)

InChi Key

BRZCZOWSDKKGGK-UHFFFAOYSA-N

Smiles

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C#CC1=CC2=C(C(=C1)NC(=O)C=C)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N4CCN(CC4)C

PubChem CID

166625215

作用类型

抑制剂

作用机制

受体蛋白-酪氨酸激酶 erbB-2 抑制剂

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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