NK1 receptor antagonist 2

For research use only. Not for therapeutic Use.

  • CAT Number: I042321
  • CAS Number: 579475-17-5
  • Molecular Formula: C31H35F7N4O2
  • Molecular Weight: 628.62
  • Purity: ≥95%
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NK1 receptor antagonist 2(Cat No.:I042321)is a small molecule designed to block the neurokinin-1 (NK1) receptor, which plays a key role in pain transmission, inflammation, and the regulation of mood. By inhibiting this receptor, the compound aims to reduce the effects of substance P, a neuropeptide involved in these processes. NK1 receptor antagonists are being explored for their potential to treat conditions like chronic pain, depression, anxiety, and nausea. NK1 receptor antagonist 2 is in early-stage research, with ongoing studies to evaluate its safety, efficacy, and potential for managing these conditions.


Catalog Number I042321
CAS Number 579475-17-5
Synonyms

(2R,4R)-4-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide

Molecular Formula C31H35F7N4O2
Purity ≥95%
IUPAC Name (2R,4R)-4-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
InChI InChI=1S/C31H35F7N4O2/c1-18-12-23(32)4-6-26(18)27-16-24(40-10-11-41-25(17-40)5-7-28(41)43)8-9-42(27)29(44)39(3)19(2)20-13-21(30(33,34)35)15-22(14-20)31(36,37)38/h4,6,12-15,19,24-25,27H,5,7-11,16-17H2,1-3H3/t19-,24-,25+,27-/m1/s1
InChIKey XWNBGDJPEXZSQM-QSEFLHEVSA-N
SMILES CC1=C(C=CC(=C1)F)[C@H]2C[C@@H](CCN2C(=O)N(C)[C@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN5[C@H](C4)CCC5=O

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