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)).


Chemical Structure

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YM49598
CAS# 738575-62-7

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

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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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

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).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 608.67 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.

Recalculate based on batch purity %
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

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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.