WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 532988
Description: YM44778 is a NK1-receptor antagonist for treating restless legs syndrome.
MedKoo Cat#: 532988
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
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).
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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
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.
|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.