(R)-1-(2,2-Difluorobenzo[D][1,3]Dioxol-5-Yl)-N-(1-(2,3-Dihydroxypropyl)-6-Fluoro-2-(1-Hydroxy-2-Methylpropan-2-Yl)-1H-Indol-5-Yl)Cyclopropanecarboxamide 1-(2,2-二氟-1,3-苯并二氧戊环-5-基)-N-[1-[(2R)-2,3-二羟基丙基]-6-氟-2-(2-羟基-1,1-二甲基乙基)-1H-吲哚-5-基]-环丙烷甲酰胺
CAS 1152311-62-0 MFCD252311620
化学结构图
SMILES: CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO
化学属性
| Mol. Weight | 521 |
|---|---|
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
| Mol. Formula | C26H27F3N2O6 |
别名和识别编码
| Chemical Name Translation | 1-(2,2-二氟-1,3-苯并二氧戊环-5-基)-N-[1-[(2R)-2,3-二羟基丙基]-6-氟-2-(2-羟基-1,1-二甲基乙基)-1H-吲哚-5-基]-环丙烷甲酰胺 |
|---|---|
| Chemical Name | (R)-1-(2,2-Difluorobenzo[D][1,3]Dioxol-5-Yl)-N-(1-(2,3-Dihydroxypropyl)-6-Fluoro-2-(1-Hydroxy-2-Methylpropan-2-Yl)-1H-Indol-5-Yl)Cyclopropanecarboxamide |
| LabNetwork Molecule ID | LN01342713 |
| PubChem Substance ID | 46199646 |
| InChI | InChI=1S/C26H27F3N2O6/c1-24(2,13-33)22-8-14-7-18(17(27)10-19(14)31(22)11-16(34)12-32)30-23(35)25(5-6-25)15-3-4-20-21(9-15)37-26(28,29)36-20/h3-4,7-10,16,32-34H,5-6,11-13H2,1-2H3,(H,30,35)/t16-/m1/s1 |
| Synonym | VX-661 VX-661; VX661; VX 661; Tezacaftor. Trikafta. tezacaftor |
| Formula | C26H27F3N2O6 |
| IUPAC Name | (R)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(2,3-dihydroxypropyl)-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide |
| InChIKey | MJUVRTYWUMPBTR-MRXNPFEDSA-N |
| Canonical SMILES | O=C(C1(C2=CC=C(OC(F)(F)O3)C3=C2)CC1)NC4=CC5=C(N(C[C@@H](O)CO)C(C(C)(C)CO)=C5)C=C4F |
| MDL Number | |
| CAS Number | 1152311-62-0 |
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产品应用
- Tezacaftor, also known asVX-661, is CFTR modulator. VX-661 is potentially useful for treatment of cystic fibrosis disease. Cystic fibrosis (CF) is a genetic disease caused by defects in the CF transmembrane regulator (CFTR) gene, which encodes an epithelial chloride channel. The most common mutation, Δ508CFTR, produces a protein that is misfolded and does not reach the cell membrane. VX-661 can correct trafficking of Δ508CFTR and partially restore chloride channel activity.
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