DEUTIVACAFTOR

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H28N2O3
Molecular Weight	401.5462
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[2H]C([2H])([2H])C(C1=CC(=C(NC(=O)C2=CNC3=CC=CC=C3C2=O)C=C1O)C(C)(C)C)(C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

InChIKey=PURKAOJPTOLRMP-ASMGOKTBSA-N

InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)/i4D3,5D3,6D3

HIDE SMILES / InChI

Molecular Formula	C24H28N2O3
Molecular Weight	401.5462
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://cysticfibrosisnewstoday.com/ctp-656-for-cystic-fibrosis | https://www.ncbi.nlm.nih.gov/pubmed/28611092 | https://clinicaltrials.gov/ct2/show/NCT03911713

CTP-656 is a deuterium-modified form of ivacaftor, an FDA-approved drug for the treatment of cystic fibrosis. CTP-656 is jointly developed by Concert Pharmaceuticals and Vertex Pharmaceuticals, and is believed to have higher metabolic stability, lower toxic byproducts and increased half-life compared to the original. CTP-656 acts as a potentiator of is a cystic fibrosis transmembrane conductance regulator (CFTR) protein. CTP-656 is investigated in phase 2 clinical trials for the treatment of cystic fibrosis.

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:40:37 UTC 2023` Edited by `admin` on `Sat Dec 16 17:40:37 UTC 2023`
Record UNII	SHA6U5FJZL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEUTIVACAFTOR

Official Name

English

Deutivacaftor [WHO-DD]

Common Name

English

D9-IVACAFTOR

Common Name

English

CTP-656

Code

English

deutivacaftor [INN]

Common Name

English

DEUTIVACAFTOR [USAN]

Common Name

English

IVACAFTOR D9

Common Name

English

N-{2-tert-Butyl-5-hydroxy-4-[2-(2H3)methyl(1,1,1,3,3,3-2H6)propan-2-yl]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide

Systematic Name

English

3-QUINOLINECARBOXAMIDE, N-(2-(1,1-DIMETHYLETHYL)-4-(1,1-DI(METHYL-D3)ETHYL- 2,2,2-D3)-5-HYDROXYPHENYL)-1,4-DIHYDRO-4-OXO-

Common Name

English

DEUTERATED IVACAFTOR

Common Name

English

VX-561

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

551016