产品名称

英文名称：Vismodegib (GDC-0449)

同义词

Vismodegib (USAN/INN)、2-Chloro-N-(4-chloro-3-(pyridin-2-yl)-phenyl)-4-(methylsulfonyl)benzamide、2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide、2-Chloro-N-[4-chloro-3-(2-pyridinyl)phenyl]-4-(methylsulfonyl)benzamide、BCP9000713、GDC、维莫德吉(GDC-0449)

产品性质

CAS编号：879085-55-9

分子式：C19H14Cl2N2O3S

分子量：421.31

PubChem编号：24776445

别名：维莫德吉(GDC-0449)

英文别名：Vismodegib (USAN/INN)|2-Chloro-N-(4-chloro-3-(pyridin-2-yl)-phenyl)-4-(methylsulfonyl)benzamide|2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide|2-Chloro-N-[4-chloro-3-(2-pyridinyl)phenyl]-4-(methylsulfonyl)benzamide|BCP9000713|GDC

规格或纯度：≥98%

英文名称：Vismodegib (GDC-0449)

生化机理：Vismodegib is a potent hedgehog (Hh) signaling pathway inhibitor. Vismodegib is a potent inhibitor of two ABC transporters, ABCG2 and ABCB1/Mdr-1, with IC50 values of 1.4 and 3.0 μM, respectively. Vismodegib may have antitumor activity in locally advanced or metastatic basal-cell carcinoma.

储存温度：-20°C储存

运输条件：超低温冰袋运输

产品介绍：Vismodegib (GDC-0449)是一种有效的，新型的，特异性的hedgehog抑制剂，IC50为3 nM。GDC-0449也抑制P-gp作用，IC50为3.0μM。A potent hedgehog (Hh) signaling pathway inhibitor.Vismodegib (GDC-0449) is a potent, novel and specific hedgehog inhibitor with IC50 of 3 nM and also inhibits P-gp with IC50 of 3.0 μM.A potent hedgehog (Hh) signaling pathway inhibitor.

ALogP：3.8

PubChem SID：488200686

PubChem SID url：https//pubchem.ncbi.nlm.nih.gov/substance/488200686

IUPAC Name：2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide

INCHI：InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)

InChi Key：BPQMGSKTAYIVFO-UHFFFAOYSA-N

Canonical SMILES：CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl

Isomeric SMILES：CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl

PubChem CID：24776445

ChEMBL Ligand：CHEMBL473417

DrugBank Ligand：DB08828

CAS Registry No.：879085-55-9

Wikipedia：Vismodegib

RCSB PDB Ligand：VIS

DrugCentral Ligand：4227

GPCRdb Ligand：vismodegib

溶解性：Soluble in DMSO (200 mg/ml), ethanol (10 mg/ml), and water (very poorly, maximum solubility in plain water is estimated to be about 10-20 μM buffers, serum, or other additives may increase or decrease the aqueous solubility).

熔点：168-180°C

产品包装