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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H23F6N5O3
Molecular Weight 603.5161
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATOGEPANT

SMILES

C[C@]1([H])[C@@]([H])(C[C@@]([H])(C(=O)N1CC(F)(F)F)N=C(c2cc3C[C@]4(Cc3nc2)c5cccnc5N=C4O)O)c6c(ccc(c6F)F)F

InChI

InChIKey=QIVUCLWGARAQIO-OLIXTKCUSA-N
InChI=1S/C29H23F6N5O3/c1-13-16(22-18(30)4-5-19(31)23(22)32)8-20(26(42)40(13)12-29(33,34)35)38-25(41)15-7-14-9-28(10-21(14)37-11-15)17-3-2-6-36-24(17)39-27(28)43/h2-7,11,13,16,20H,8-10,12H2,1H3,(H,38,41)(H,36,39,43)/t13-,16-,20+,28+/m1/s1

HIDE SMILES / InChI
MK-8031 (also known as Atogepant) is piperidinonylcarboxamideazaindane derivative patented by Merck Sharp & Dohme Corp as CGRP receptor antagonist useful for prevention and treatment of Migraine. A press release in June 2018 announced positive results for MK-8031, in a Phase 2 trial of daily use for episodic migraine prevention. MK-8031appeared to show good efficacy in migraine prevention and no significant liver toxicity signal at any dose despite daily dosing for 3 months. Phase III clinical trial was initiated in 2019 and currently in progress.

Approval Year

PubMed

PubMed

TitleDatePubMed
Anti-Calcitonin Gene-Related Peptide (CGRP) Therapies: Update on a Previous Review After the American Headache Society 60th Scientific Meeting, San Francisco, June 2018.
2018 Nov
Patents

Patents

Sample Use Guides

60 mg once a day
Route of Administration: Oral
Name Type Language
ATOGEPANT
INN  
USAN   INN  
Official Name English
ATOGEPANT [USAN]
Common Name English
SPIRO(6H-CYCLOPENTA(B)PYRIDINE-6,3'-(3H)PYRROLO(2,3-B)PYRIDINE)-3-CARBOXAMIDE, 1',2',5,7-TETRAHYDRO-N-((3S,5S,6R)-6-METHYL-2-OXO-1-(2,2,2-TRIFLUOROETHYL)-5-(2,3,6-TRIFLUOROPHENYL)-3-PIPERIDINYL)-2'-OXO-, (3'S)-
Systematic Name English
ATOGEPANT [INN]
Common Name English
(3'S)-1',2',5,7-TETRAHYDRO-N-((3S,5S,6R)-6-METHYL-2-OXO-1-(2,2,2-TRIFLUOROETHYL)-5-(2,3,6-TRIFLUOROPHENYL)-3-PIPERIDINYL)-2'-OXOSPIRO(6H-CYCLOPENTA(B)PYRIDINE-6,3'-(3H)PYRROLO(2,3-B)PYRIDINE)-3-CARBOXAMIDE
Systematic Name English
ATOGEPANT [WHO-DD]
Common Name English
AGN-241689
Code English
MK-8031
Code English
Code System Code Type Description
CAS
1374248-81-3
Created by admin on Sat Jun 26 04:59:37 UTC 2021 , Edited by admin on Sat Jun 26 04:59:37 UTC 2021
PRIMARY
PUBCHEM
72163100
Created by admin on Sat Jun 26 04:59:37 UTC 2021 , Edited by admin on Sat Jun 26 04:59:37 UTC 2021
PRIMARY
FDA UNII
7CRV8RR151
Created by admin on Sat Jun 26 04:59:37 UTC 2021 , Edited by admin on Sat Jun 26 04:59:37 UTC 2021
PRIMARY
INN
10510
Created by admin on Sat Jun 26 04:59:37 UTC 2021 , Edited by admin on Sat Jun 26 04:59:37 UTC 2021
PRIMARY
NCI_THESAURUS
C167018
Created by admin on Sat Jun 26 04:59:37 UTC 2021 , Edited by admin on Sat Jun 26 04:59:37 UTC 2021
PRIMARY