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1374248-77-7

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1374248-77-7 Structure

1374248-77-7 Structure
IdentificationBack Directory
[Name]

Ubrogepant
[CAS]

1374248-77-7
[Synonyms]

MK-1602
Ubrogepant
MK-1602 Ubrogepant
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-5-phenyl-1-(2,2,2-trifluoroethyl)-3-piperidinyl]-2'-oxo-, (3'S)-
[Molecular Formula]

C29H26F3N5O3
[MDL Number]

MFCD28386182
[MOL File]

1374248-77-7.mol
[Molecular Weight]

549.54
Chemical PropertiesBack Directory
[Boiling point ]

729.4±60.0 °C(Predicted)
[density ]

1.45±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in DMSO
[form ]

Solid
[pka]

11.08±0.20(Predicted)
[color ]

White to off-white
[InChIKey]

DDOOFTLHJSMHLN-ZQHRPCGSSA-N
[SMILES]

C12C[C@@]3(C(=O)NC4=NC=CC=C43)CC1=CC(C(N[C@H]1C[C@@H](C3=CC=CC=C3)[C@@H](C)N(CC(F)(F)F)C1=O)=O)=CN=2
Hazard InformationBack Directory
[Uses]

Ubrogepant, is a new drug possible used for the treatment of migraine.
[Synthesis]

Synthesis route of Ubrogepant
Ubrogepant synthesis
[in vivo]

Ubrogepant (0.06-100 μg/kg; intravenous injection; 1-3 times) inhibits Capsaicin (HY-10448)-induced dermal vasodilation in a concentration- and time-dependent manner in rhesus monkeys with an EC50 of 3.19 nM[1].

Spectrum DetailBack Directory
[Spectrum Detail]

Ubrogepant(1374248-77-7)1HNMR
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