WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 406436
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.
MedKoo Cat#: 406436
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
This product is not in stock, which may be available by custom synthesis.
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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
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).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 565.54988 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
|Concentration / Solvent Volume / Mass||1 mg||5 mg||10 mg|
|1 mM||1.15 mL||5.76 mL||11.51 mL|
|5 mM||0.23 mL||1.15 mL||2.3 mL|
|10 mM||0.12 mL||0.58 mL||1.15 mL|
|50 mM||0.02 mL||0.12 mL||0.23 mL|
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.