WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 532989
Description: YM44781 is a novel non-peptide tachykinin receptor antagonist. YM44781 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-44781 did not produce major inhibition of [Sar9,Met(O(2))11]substance P-induced bladder contraction.
MedKoo Cat#: 532989
Chemical Formula: C31H32Cl2FN3O2
Exact Mass: 567.1856
Molecular Weight: 568.51
Elemental Analysis: C, 65.49; H, 5.67; Cl, 12.47; F, 3.34; N, 7.39; O, 5.63
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Synonym: YM44781; YM 44781; YM-44781
IUPAC/Chemical Name: N-[2-(3,4-dichlorophenyl)-4-(3-oxospiro[2,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)butyl]-4-fluoro-N-methylbenzamide
InChi Key: MIXOPBNZLJBQJH-UHFFFAOYSA-N
InChi Code: InChI=1S/C31H32Cl2FN3O2/c1-36(30(39)21-6-9-25(34)10-7-21)20-24(22-8-11-27(32)28(33)18-22)12-15-37-16-13-31(14-17-37)26-5-3-2-4-23(26)19-29(38)35-31/h2-11,18,24H,12-17,19-20H2,1H3,(H,35,38)
SMILES Code: O=C(N(CC(C1=CC=C(Cl)C(Cl)=C1)CCN2CCC3(CC2)NC(CC4=C3C=CC=C4)=O)C)C5=CC=C(F)C=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 568.51 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.