U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of DEUTIVACAFTOR

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

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 Thu Jul 06 23:01:49 UTC 2023
Edited
by admin
on Thu Jul 06 23:01:49 UTC 2023
Record UNII
SHA6U5FJZL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEUTIVACAFTOR
INN   USAN  
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
VX-561
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 551016
Created by admin on Thu Jul 06 23:01:50 UTC 2023 , Edited by admin on Thu Jul 06 23:01:50 UTC 2023
FDA ORPHAN DRUG 777220
Created by admin on Thu Jul 06 23:01:50 UTC 2023 , Edited by admin on Thu Jul 06 23:01:50 UTC 2023
Code System Code Type Description
USAN
FG-130
Created by admin on Thu Jul 06 23:01:50 UTC 2023 , Edited by admin on Thu Jul 06 23:01:50 UTC 2023
PRIMARY
PUBCHEM
71470491
Created by admin on Thu Jul 06 23:01:50 UTC 2023 , Edited by admin on Thu Jul 06 23:01:50 UTC 2023
PRIMARY
FDA UNII
SHA6U5FJZL
Created by admin on Thu Jul 06 23:01:50 UTC 2023 , Edited by admin on Thu Jul 06 23:01:50 UTC 2023
PRIMARY
CAS
1413431-07-8
Created by admin on Thu Jul 06 23:01:50 UTC 2023 , Edited by admin on Thu Jul 06 23:01:50 UTC 2023
PRIMARY
INN
10704
Created by admin on Thu Jul 06 23:01:50 UTC 2023 , Edited by admin on Thu Jul 06 23:01:50 UTC 2023
PRIMARY
SMS_ID
100000181133
Created by admin on Thu Jul 06 23:01:50 UTC 2023 , Edited by admin on Thu Jul 06 23:01:50 UTC 2023
PRIMARY
NCI_THESAURUS
C169892
Created by admin on Thu Jul 06 23:01:50 UTC 2023 , Edited by admin on Thu Jul 06 23:01:50 UTC 2023
PRIMARY
DRUG BANK
DB15141
Created by admin on Thu Jul 06 23:01:50 UTC 2023 , Edited by admin on Thu Jul 06 23:01:50 UTC 2023
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED
TARGET -> ACTIVATOR
Related Record Type Details
ACTIVE MOIETY