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atogepant , Calcitonin gene-related peptide type 1 receptor antagonist, CAS No.1374248-81-3, Calcitonin gene-related peptide type 1 receptor antagonist

Item Number
A607801
Grouped product items
SKUSizeAvailabilityPrice Qty
A607801-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$399.90
A607801-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$649.90
A607801-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,299.90
A607801-50mg
50mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,099.90
A607801-100mg
100mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$3,339.90
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CGRP receptor Antagonist

Basic Description

Synonymsexample 4 [US20120122911] | MS-30639 | SCHEMBL4570348 | (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-carbo
Specifications & PurityMoligand™, ≥98%
Storage TempStore at -20°C
Shipped InIce chest + Ice pads
GradeMoligand™
Action TypeANTAGONIST
Mechanism of actionCalcitonin gene-related peptide type 1 receptor antagonist

Product Properties

ALogP3.4

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)

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-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxamide
INCHI 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
InChi Key QIVUCLWGARAQIO-OLIXTKCUSA-N
Canonical SMILES O=C(c1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2c1cccn2)N[C@H]1C[C@H]([C@H](N(C1=O)CC(F)(F)F)C)c1c(F)ccc(c1F)F
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=C(C=CC(=C6F)F)F
PubChem CID 72163100
Molecular Weight 603.52

Certificates

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10 results found

Lot NumberCertificate TypeDateItem
L2409021Certificate of AnalysisOct 23, 2024 A607801
L2409022Certificate of AnalysisOct 23, 2024 A607801
L2409023Certificate of AnalysisOct 23, 2024 A607801
L2409024Certificate of AnalysisOct 23, 2024 A607801
L2409025Certificate of AnalysisOct 23, 2024 A607801
L2409026Certificate of AnalysisOct 23, 2024 A607801
L2409027Certificate of AnalysisOct 23, 2024 A607801
L2409029Certificate of AnalysisOct 23, 2024 A607801
L2409031Certificate of AnalysisOct 23, 2024 A607801
L2409032Certificate of AnalysisOct 23, 2024 A607801

Related Documents

 SDS

 Specification Sheet

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References

1. Schwedt TJ, Lipton RB, Ailani J, Silberstein SD, Tassorelli C, Guo H, Lu K, Dabruzzo B, Miceli R, Severt L et al..  (2021)  Time course of efficacy of atogepant for the preventive treatment of migraine: Results from the randomized, double-blind ADVANCE trial..  Cephalalgia,  71  (13): (3331024211042385).  [PMID:34521260] [10.1021/op500134e]

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