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Atogepant (MK-8031)

Atogepant (MK-8031) structure

CAS No:
1374248-81-3
Formula:
C29H23F6N5O3
Chemical Name:
Atogepant (MK-8031)
Synonyms:
MK-8031;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)-;(S)—N-((3S,5S,6R)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-3-yl)-2’-oxo-1’,2’,5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3’-pyrrolo[2,3-b]pyridine]-3-carboxamide;(S)—N-((3S,5S,6R)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-3-yl)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxamid;MK8031. Atogepant;Atogepant API;(S)-1'-(tert-butyl)-N-((3S,5S,6R)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-3-yl)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxamide;(3'S)-N-[(3S,5S,6R)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-3-yl]-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxamide
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

ChEBI: Atogepant is a secondary carboxamide resulting from the formal condensation of the carboxy group of (3'S)-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid with the amino group of (3S,5S,6R)-3-amino-6-methyl-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one. It is a selective oral, small-molecule antagonist of calcitonin gene-related peptide (CGRP) receptor that has been approved for the treatment of migraine. It has a role as a calcitonin gene-related peptide receptor antagonist. It is a secondary carboxamide, an azaspiro compound, an organic heterotetracyclic compound, a trifluorobenzene and a member of piperidones.

Atogepant (MK-8031) Basic Attributes

Molecular Weight：

603.52

Exact Mass：

603.171

Color/Form：

White to off-white

Characteristics

PSA：

104.29

XLogP3：

4.4147

Density：

1.54±0.1 g/cm3(Predicted)

Boiling Point：

693.9±55.0 °C(Predicted)

PKA：

11.08±0.20(Predicted)

Critical Temperature & Pressure：

Store at -20°C

Atogepant (MK-8031) Use and Manufacturing

Atogepant (MK-8031) is an orally active and selective calcitonin gene–related peptide receptor (CGRP) antagonist. Atogepant can be used for researching migraine.

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