Befetupitant

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 406436

CAS#: 290296-68-3

Description: Befetupitant, also known as Ro 67-5930, is a potent and selective NK1 receptor antagonist. Befetupitant is potentially useful in controlling chemotherapy-induced nausea and vomiting . Substance P-neurokinin-1 (NK1) receptor pathways have been repeatedly implicated in the pathophysiology of affective disorders. A high expression of NK1 receptors in brain regions that are important for the regulation of affective behaviours and stress responses.


Price and Availability

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Befetupitant, purity > 98%, is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 406436
Name: Befetupitant
CAS#: 290296-68-3
Chemical Formula: C29H29F6N3O2
Exact Mass: 565.2164
Molecular Weight: 565.54988
Elemental Analysis: C, 61.59; H, 5.17; F, 20.16; N, 7.43; O, 5.66


Synonym: Befetupitant; Ro 675930; Ro675930; Ro-675930.

IUPAC/Chemical Name: 2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(6-morpholino-4-(o-tolyl)pyridin-3-yl)propanamide

InChi Key: ZGNPLCMMVKCTHM-UHFFFAOYSA-N

InChi Code: InChI=1S/C29H29F6N3O2/c1-18-7-5-6-8-22(18)23-16-25(38-9-11-40-12-10-38)36-17-24(23)37(4)26(39)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17H,9-12H2,1-4H3

SMILES Code: CC(C)(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(N(C)C2=C(C3=CC=CC=C3C)C=C(N4CCOCC4)N=C2)=O


Technical Data

Appearance:
white solid powder

Purity:
>98% (or refer to the Certificate of Analysis)

Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition:
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility:
Soluble in DMSO, not in water

Shelf Life:
>2 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

Stock Solution Storage:
0 - 4 C for short term (days to weeks), or -20 C for long term (months).

Harmonized System Code:
293490


Additional Information

  
 
 
 


References

1: Hoffmann-Emery F, Hilpert H, Scalone M, Waldmeier P. Efficient synthesis of novel NK1 receptor antagonists: selective 1,4-addition of grignard reagents to 6-chloronicotinic acid derivatives. J Org Chem. 2006 Mar 3;71(5):2000-8. PubMed PMID: 16496986.