YM44778

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

MedKoo CAT#: 532988

CAS#: 173941-74-7

Description: YM44778 is a NK1-receptor antagonist for treating restless legs syndrome.


Chemical Structure

img
YM44778
CAS# 173941-74-7

Theoretical Analysis

MedKoo Cat#: 532988
Name: YM44778
CAS#: 173941-74-7
Chemical Formula: C34H39Cl2N3O5
Exact Mass: 639.2267
Molecular Weight: 640.6
Elemental Analysis: C, 63.75; H, 6.14; Cl, 11.07; N, 6.56; O, 12.49

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.

Request quote for custom synthesis

Synonym: YM-44778; YM 44778; YM-44778.

IUPAC/Chemical Name: N-[2-(3,4-dichlorophenyl)-4-(3-oxospiro[2,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)butyl]-3,4,5-trimethoxy-N-methylbenzamide

InChi Key: RMRHFQVHSFCBEO-UHFFFAOYSA-N

InChi Code: InChI=1S/C34H39Cl2N3O5/c1-38(33(41)25-18-29(42-2)32(44-4)30(19-25)43-3)21-24(22-9-10-27(35)28(36)17-22)11-14-39-15-12-34(13-16-39)26-8-6-5-7-23(26)20-31(40)37-34/h5-10,17-19,24H,11-16,20-21H2,1-4H3,(H,37,40)

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

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 640.6 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

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

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.

2: Kubota H, Kakefuda A, Okamoto Y, Fujii M, Yamamoto O, Yamagiwa Y, Orita M, Ikeda K, Takeuchi M, Shibanuma T, Isomura Y. Spiro-substituted piperidines as neurokinin receptor antagonists. III. Synthesis of (+/-)-N-[2-(3,4-dichlorophenyl)-4-(spiro-substituted piperidin-1'-yl)butyl]-N-methylbenzamides and evaluation of NK1-NK2 dual antagonistic activities. Chem Pharm Bull (Tokyo). 1998 Oct;46(10):1538-44. PubMed PMID: 9810691.

3: Walden PD, Marinese D, Srinivasan D, Tzoumaka E, Syyong HT, Ford AP, Bhattacharya A. Effect of neurokinins on canine prostate cell physiology. Prostate. 2005 Jun 1;63(4):358-68. PubMed PMID: 15611996.