WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 597709
Description: S 16474 is a Neurokinin-1 Receptor Antagonist.
MedKoo Cat#: 597709
Name: S 16474
Chemical Formula: C44H47N6NaO8
Exact Mass: 810.3353
Molecular Weight: 810.88
Elemental Analysis: C, 65.17; H, 5.84; N, 10.36; Na, 2.84; O, 15.78
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Synonym: S 16474; S-16474; S16474;
IUPAC/Chemical Name: sodium 4-(3-((R)-3-((S)-2-(benzyl(methyl)amino)-3-phenylpropanamido)-2-(2-((3S,9aS)-1,4-dioxooctahydro-2H-6,9-ethanopyrido[1,2-a]pyrazin-3-yl)acetamido)-3-oxopropyl)-1H-indol-1-yl)-4-oxobutanoate
InChi Key: CDBNFTQVUYFDLS-BLNRAPBNSA-M
InChi Code: InChI=1S/C44H48N6O8.Na/c1-48(25-28-12-6-3-7-13-28)36(22-27-10-4-2-5-11-27)42(56)47-41(55)33(23-30-26-49(38(52)20-21-39(53)54)35-15-9-8-14-32(30)35)45-37(51)24-34-44(58)50-31-18-16-29(17-19-31)40(50)43(57)46-34;/h2-15,26,29,31,33-34,36,40H,16-25H2,1H3,(H,45,51)(H,46,57)(H,53,54)(H,47,55,56);/q;+1/p-1/t29?,31?,33-,34+,36+,40+;/m1./s1
SMILES Code: O=C(NC([C@@H](CC1=CN(C(CCC([O-])=O)=O)C2=C1C=CC=C2)NC(C[C@@H]3NC([C@@](C4CCC5CC4)([H])N5C3=O)=O)=O)=O)[C@H](CC6=CC=CC=C6)N(C)CC7=CC=CC=C7.[Na+]
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: >3 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: 2934.99.03.00
The following data is based on the product molecular weight 810.88 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: Robineau P, Lonchampt M, Kucharczyk N, Krause JE, Regoli D, Fauchere JL, Prost JF, Canet E. In vitro and in vivo pharmacology of S 16474, a novel dual tachykinin NK1 and NK2 receptor antagonist. Eur J Pharmacol. 1995 Dec 29;294(2-3):677-84. PubMed PMID: 8750733.