产品名称

英文名称：VX-809 (Lumacaftor)

同义词

Lumacaftor、936727-05-8、VX-809、VX809、VX 809、3-(6-(1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoic acid、VRT-826809、VRT 826809、VX-809 (Lumacaftor)、EGP8L81APK、3-(6-{[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopro

产品性质

CAS编号：936727-05-8

分子式：C24H18F2N2O5

分子量：452.41

PubChem编号：16678941

英文别名：Lumacaftor|936727-05-8|VX-809|VX809|VX 809|3-(6-(1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoic acid|VRT-826809|VRT 826809|VX-809 (Lumacaftor)|EGP8L81APK|3-(6-{[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopro

规格或纯度：≥98%

英文名称：VX-809 (Lumacaftor)

生化机理：VX-809 is the second investigational oral candidate compound for the treatment of cystic fibrosis (CF). VX-809 may act to restore the function of the cystic fibrosis transmembrane conductance regulator (CFTR) protein, the defective cell membrane protein responsible for the progression of CF. VX-809 defects in the CFTR protein affect the transport of chloride and other ions across cells, and lead to the accumulation of thick, sticky mucus in the lungs of patients with CF. This mucus fosters chronic infection and inflammation, and results in irreversible lung damage.

储存温度：-20°C储存

运输条件：超低温冰袋运输

备注：50mg、10mg卖完停产，不再备货

产品介绍：VX-809 (Lumacaftor)通过促进突变型CFTR(F508del-CFTR)的成熟，从而纠正常见于囊性纤维化的CFTR突变，EC50为0.1 μM。VX-809 (Lumacaftor) acts to correct CFTR mutations common in cystic fibrosis by increasing mutant CFTR (F508del-CFTR) maturation,EC50 of 0.1 μM.

ALogP：4.4

IUPAC Name：3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methylpyridin-2-yl]benzoic acid

INCHI：InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)

InChi Key：UFSKUSARDNFIRC-UHFFFAOYSA-N

Canonical SMILES：CC1=C(N=C(C=C1)NC(=O)C2(CC2)C3=CC4=C(C=C3)OC(O4)(F)F)C5=CC(=CC=C5)C(=O)O

Isomeric SMILES：CC1=C(N=C(C=C1)NC(=O)C2(CC2)C3=CC4=C(C=C3)OC(O4)(F)F)C5=CC(=CC=C5)C(=O)O

PubChem CID：16678941

CAS Registry No.：936727-05-8

ChEMBL Ligand：CHEMBL2103870

Wikipedia：Lumacaftor

PEP：lumacaftor

DrugCentral Ligand：5010

RCSB PDB Ligand：VX8

溶解性：DMSO 91 mg/mL Water <1 mg/mL Ethanol 6 mg/mL

象形图：

信号词：Danger

危险声明：H301 Toxic if swallowedH318 Causes serious eye damageH312 Harmful in contact with skinH372 Causes damage to organs through prolonged or repeated exposureH360 May damage fertility or the unborn child

预防措施声明：P280,P302+P352,P321,P405,P501,P264,P260,P270,P362+P364,P330,P203,P264+P265,P301+P316,P305+P354+P338,P318,P317,P319

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