YM44781

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

MedKoo CAT#: 532989

CAS#: 173943-29-8

Description: YM44781 is a novel non-peptide tachykinin receptor antagonist. YM44781 exhibited high binding affinities at NK(2) (pK(i) = 9.94 +/- 0.03) and NK(1) (pK(i) = 9.09 +/- 0.02) receptors, respectively. YM-44781 did not produce major inhibition of [Sar9,Met(O(2))11]substance P-induced bladder contraction.


Price and Availability

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YM44781 is not in stock, but 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#: 532989
Name: YM44781
CAS#: 173943-29-8
Chemical Formula: C31H32Cl2FN3O2
Exact Mass: 567.1856
Molecular Weight: 568.51
Elemental Analysis: C, 65.49; H, 5.67; Cl, 12.47; F, 3.34; N, 7.39; O, 5.63


Synonym: YM44781; YM 44781; YM-44781

IUPAC/Chemical Name: N-[2-(3,4-dichlorophenyl)-4-(3-oxospiro[2,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)butyl]-4-fluoro-N-methylbenzamide

InChi Key: MIXOPBNZLJBQJH-UHFFFAOYSA-N

InChi Code: InChI=1S/C31H32Cl2FN3O2/c1-36(30(39)21-6-9-25(34)10-7-21)20-24(22-8-11-27(32)28(33)18-22)12-15-37-16-13-31(14-17-37)26-5-3-2-4-23(26)19-29(38)35-31/h2-11,18,24H,12-17,19-20H2,1H3,(H,35,38)

SMILES Code: O=C(N(CC(C1=CC=C(Cl)C(Cl)=C1)CCN2CCC3(CC2)NC(CC4=C3C=CC=C4)=O)C)C5=CC=C(F)C=C5


Technical Data

Appearance:
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

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


References

1: Choppin A, Groke G, Bringas A, Stepan G, Dillon MP. Effect of YM-44781, YM-44778 and YM-49598, novel tachykinin antagonists, in a drug-induced bladder contraction model. Pharmacology. 2002 May;65(2):96-102. PubMed PMID: 11937780.