S 16474 | CAS#149250-10-2 | Neurokinin-1 Receptor Antagonist

MedKoo Cat#: 597709 | Name: S 16474

Description:

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

S 16474 is a Neurokinin-1 Receptor Antagonist.

Chemical Structure

S 16474

CAS#149250-10-2

Theoretical Analysis

MedKoo Cat#: 597709

Name: S 16474

CAS#: 149250-10-2

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

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 #

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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

More Info

Instruction

View handling instruction

Preparing Stock Solutions

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.