ubrogepant , Calcitonin gene-related peptide type 1 receptor antagonist, CAS No.1374248-77-7, Calcitonin gene-related peptide type 1 receptor antagonist

Item Number
U614612
Grouped product items
SKUSizeAvailabilityPrice Qty
U614612-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$600.90
U614612-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,680.90
View related series
CGRP receptor Antagonist

Basic Description

SynonymsUbrelvy (TN) | UNII-AD0O8X2QJR | SY001508 | A934103 | D10673 | Ubrogepant (USAN/INN) | Ubrogepant [USAN] | AKOS040742798 | DB15328 | AC-31965 | MS-30058 | UBROGEPANT [MI] | Q15632908 | BDBM361594 | Ubrogepantum | (6S)-N-[(3S,5S,6R)-6-Methyl-2-oxo-5-phenyl
Specifications & PurityMoligand™
GradeMoligand™
Action TypeANTAGONIST
Mechanism of actionCalcitonin gene-related peptide type 1 receptor antagonist

Product Properties

ALogP3.1

Associated Targets(Human)

RAMP1 Tclin Receptor activity-modifying protein 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CALCRL Tclin Calcitonin gene-related peptide type 1 receptor (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Names and Identifiers

IUPAC Name (3S)-N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxamide
INCHI InChI=1S/C29H26F3N5O3/c1-16-20(17-6-3-2-4-7-17)11-22(26(39)37(16)15-29(30,31)32)35-25(38)19-10-18-12-28(13-23(18)34-14-19)21-8-5-9-33-24(21)36-27(28)40/h2-10,14,16,20,22H,11-13,15H2,1H3,(H,35,38)(H,33,36,40)/t16-,20-,22+,28+/m1/s1
InChi Key DDOOFTLHJSMHLN-ZQHRPCGSSA-N
Canonical SMILES CC1C(CC(C(=O)N1CC(F)(F)F)NC(=O)C2=CC3=C(CC4(C3)C5=C(NC4=O)N=CC=C5)N=C2)C6=CC=CC=C6
Isomeric SMILES C[C@@H]1[C@@H](C[C@@H](C(=O)N1CC(F)(F)F)NC(=O)C2=CC3=C(C[C@@]4(C3)C5=C(NC4=O)N=CC=C5)N=C2)C6=CC=CC=C6
Alternate CAS 1374248-77-7
PubChem CID 68748835
MeSH Entry Terms 1',2',5,7-tetrahydro-N-((3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3-piperidinyl)-2'-oxo-, (6S)- spiro(6H-cyclopenta(b)pyridine-6,3'-(3H)pyrrolo(2,3-b)pyridine)-3-carboxamide;MK-1602;ubrelvy;ubrogepant
Molecular Weight 549.5

Certificates

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Related Documents

References

1. Voss T, Lipton RB, Dodick DW, Dupre N, Ge JY, Bachman R, Assaid C, Aurora SK, Michelson D.  (2016)  A phase IIb randomized, double-blind, placebo-controlled trial of ubrogepant for the acute treatment of migraine..  Cephalalgia,  36  (9): (887-98).  [PMID:27269043] [10.1021/op500134e]
2. Edvinsson L, Haanes KA, Warfvinge K, Krause DN.  (2018)  CGRP as the target of new migraine therapies - successful translation from bench to clinic..  Nat Rev Neurol,  14  (6): (338-350).  [PMID:29691490] [10.1021/op500134e]
3. Tfelt-Hansen P, Loder E.  (2019)  The Emperor's New Gepants: Are the Effects of the New Oral CGRP Antagonists Clinically Meaningful?.  Headache,  59  (1): (113-117).  [PMID:30451300] [10.1021/op500134e]
4. Lambru G, Andreou AP, Guglielmetti M, Martelletti P.  (2018)  Emerging drugs for migraine treatment: an update..  Expert Opin Emerg Drugs,  23  (4): (301-318).  [PMID:30484333] [10.1021/op500134e]
5. Dodick DW, Lipton RB, Ailani J, Lu K, Finnegan M, Trugman JM, Szegedi A.  (2019)  Ubrogepant for the Treatment of Migraine..  N Engl J Med,  381  (23): (2230-2241).  [PMID:31800988] [10.1021/op500134e]

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