YM49598

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

MedKoo CAT#: 532991

CAS#: 738575-62-7

Description: YM49598 is a novel non-peptide tachykinin receptor antagonist. YM49598 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-49598 was almost inactive but produced a potent inhibition (IC(50) = 11 +/- 7 microg x kg(-1)) of the contraction of the rat urinary bladder induced by challenge with the NK(1)-selective receptor agonist [Sar9,Met(O(2))11]substance P sulphone (0.3 microg x kg(-1)).


Price and Availability

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YM49598 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#: 532991
Name: YM49598
CAS#: 738575-62-7
Chemical Formula: C36H45Cl2N2O2+
Exact Mass: 607.2853
Molecular Weight: 608.67
Elemental Analysis: C, 71.04; H, 7.45; Cl, 11.65; N, 4.60; O, 5.26


Synonym: YM49598; YM 49598; YM-49598.

IUPAC/Chemical Name: 1-[3-(3,4-dichlorophenyl)-3-[2-(1-methyl-4-phenylpiperidin-1-ium-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone

InChi Key: QRSSYNAUQYYMPH-UHFFFAOYSA-N

InChi Code: InChI=1S/C36H45Cl2N2O2/c1-27(2)42-32-12-7-9-28(23-32)24-35(41)39-19-8-17-36(26-39,31-13-14-33(37)34(38)25-31)18-22-40(3)20-15-30(16-21-40)29-10-5-4-6-11-29/h4-7,9-14,23,25,27,30H,8,15-22,24,26H2,1-3H3/q+1

SMILES Code: CC(OC1=CC(CC(N2CC(CC[N+]3(C)CCC(C4=CC=CC=C4)CC3)(C5=CC=C(Cl)C(Cl)=C5)CCC2)=O)=CC=C1)C


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.