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MedKoo Cat#: 532988 | Name: YM44778

Description:

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

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

Chemical Structure

YM44778
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: 640.60

Elemental Analysis: C, 63.75; H, 6.14; Cl, 11.07; N, 6.56; O, 12.49

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 640.60 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
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.