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

CAS#: 1374248-77-7
Formula: C₂₉H₂₆F₃N₅O₃
Molecular Weight: 549.5
PubChem CID: 68748835

Item Number

U614612

Grouped product items
SKU	Size	Availability	Price	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

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CGRP receptor Antagonist

Basic Description

Synonyms	Ubrelvy (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 & Purity	Moligand™
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Calcitonin gene-related peptide type 1 receptor antagonist

Associated Targets(Human)

RAMP1 Tclin Receptor activity-modifying protein 1 (0 Activities)

Discover Target: RAMP1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CALCRL Tclin Calcitonin gene-related peptide type 1 receptor (0 Activities)

Discover Target: CALCRL

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Homo sapiens (32628 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RAMP1 Tclin Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 (193 Activities)

Discover Target: RAMP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

CAS Registry No.

PubChem CID

ChEMBL Ligand

DrugCentral Ligand

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]
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]
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]
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]
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]

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

Basic Description

Product Properties

Associated Targets(Human)

Names and Identifiers

Database links

Certificates

Certificate of Analysis(COA)

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References

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