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MK-0974

CAT: 0013-GTR19237187-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237187-02Size:100 mg
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Description
A potent, selective, orally bioavailable CGRP receptor antagonist with Ki of 0.77 nM; shows >10,000-fold selectivity in a panel of assays representing over 160 receptors, transporters, and enzymes; inhibits CGRP-stimulated cAMP production in E10 cells with IC50 of 2.2 nM; inhibits the capsaicin-induced increase in dermal blood flow in monkey models.Migraine Phase 3 Discontinued.
CAS Number
781649-09-0
Product Name Alternative
Telcagepant
Purity
>98% (HPLC)
Solubility
10 mM in DMSO
Smiles
O=C (N1CCC (N (C2=CC=CN=C2N3) C3=O) CC1) N[C@H]4C (N (CC (F) (F) F) C[C@H] (C5=CC=CC (F) =C5F) CC4) =O
Molecular Formula
C26H27F5N6O3
Molecular Weight
566.523
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
1-Piperidinecarboxamide, N-[ (3R,6S) -6- (2,3-difluorophenyl) hexahydro-2-oxo-1- (2,2,2-trifluoroethyl) -1H-azepin-3-yl]-4- (2,3-dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-1-yl) -

Chemical Information

Telcagepant

Telcagepant has been investigated for the treatment of Migraine. It is an antagonist of the receptor for calcitonin gene-related peptide (CGRP), a primary neuropeptide involved in the pathophysiology of migraine. CGRP and its receptors are found in areas of the central and peripheral nervous system that are important for the transmission of migraine pain. During migraine attacks, CGRP activates these receptors and facilitates the transmission of pain impulses.

CAS Number781649-09-0
PubChem CID11319053
IUPAC NameN-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
Molecular FormulaC26H27F5N6O3
Molecular Weight566.5
XLogP3
Topological Polar Surface Area97.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count40
Formal Charge0
Complexity948
SMILES
C1C[C@H](C(=O)N(C[C@@H]1C2=C(C(=CC=C2)F)F)CC(F)(F)F)NC(=O)N3CCC(CC3)N4C5=C(NC4=O)N=CC=C5
InChI
InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1
InChIKey
CGDZXLJGHVKVIE-DNVCBOLYSA-N
Chemical Structure
2D Structure
2D structure of Telcagepant
CAS: 781649-09-0
CID: 11319053
Formula: C26H27F5N6O3
MW: 566.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight566.5
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass566.20647955
Monoisotopic Mass566.20647955
Topological Polar Surface Area97.9 Ų
Heavy Atom Count40
Formal Charge0
Complexity948
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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FD74910-01MK 0974
MBS3605945-01MK-0974
MBS386672-01MK-0974 (Telcagepant)
A11255-50MK-0974 50mg
A11255-5MK-0974 5mg
A11255-25MK-0974 25mg
A11255-10MK-0974 10mg
A11255-100MK-0974 (Telcagepant) 100mg
M11618-01GLPG 0974
B3292-1GLPG-0974

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