SSR126768A | CAS#785048-28-4 |Oxytocin Receptor Antagonist

MedKoo Cat#: 532794 | Name: SSR126768A

Description:

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

SSR126768A is a new selective and orally active oxytocin receptor antagonist for the prevention of preterm labor.

Chemical Structure

SSR126768A

CAS#785048-28-4

Theoretical Analysis

MedKoo Cat#: 532794

Name: SSR126768A

CAS#: 785048-28-4

Chemical Formula: C33H31Cl2N3O4

Exact Mass: 603.1692

Molecular Weight: 604.53

Elemental Analysis: C, 65.57; H, 5.17; Cl, 11.73; N, 6.95; O, 10.59

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

SSR126768A; SSR 126768A; SSR-126768A.

IUPAC/Chemical Name

4-chloro-3-[(3R)-5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-(pyridin-3-ylmethyl)benzamide

InChi Key

UENRBNCNIZQNTR-XIFFEERXSA-N

InChi Code

InChI=1S/C33H31Cl2N3O4/c1-5-37(19-21-7-6-14-36-18-21)31(39)22-9-12-28(35)26(15-22)33(2)27-16-24(34)10-13-29(27)38(32(33)40)20-23-8-11-25(41-3)17-30(23)42-4/h6-18H,5,19-20H2,1-4H3/t33-/m0/s1

SMILES Code

O=C(N(CC)CC1=CC=CN=C1)C2=CC=C(Cl)C([C@]3(C)C(N(CC4=CC=C(OC)C=C4OC)C5=C3C=C(Cl)C=C5)=O)=C2

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 604.53 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: Gray NP, McDougall SA, Dean JR. Analytical bias between species caused by matrix effects in quantitative analysis of a small-molecule pharmaceutical candidate in plasma. Bioanalysis. 2012 Mar;4(6):675-84. doi: 10.4155/bio.12.11. PubMed PMID: 22452258. 2: Tyzio R, Cossart R, Khalilov I, Minlebaev M, Hübner CA, Represa A, Ben-Ari Y, Khazipov R. Maternal oxytocin triggers a transient inhibitory switch in GABA signaling in the fetal brain during delivery. Science. 2006 Dec 15;314(5806):1788-92. PubMed PMID: 17170309. 3: Serradeil-Le Gal C, Valette G, Foulon L, Germain G, Advenier C, Naline E, Bardou M, Martinolle JP, Pouzet B, Raufaste D, Garcia C, Double-Cazanave E, Pauly M, Pascal M, Barbier A, Scatton B, Maffrand JP, Le Fur G. SSR126768A (4-chloro-3-[(3R)-(+)-5-chloro-1-(2,4-dimethoxybenzyl)-3-methyl-2-oxo-2,3-dihydro -1H-indol-3-yl]-N-ethyl-N-(3-pyridylmethyl)-benzamide, hydrochloride): a new selective and orally active oxytocin receptor antagonist for the prevention of preterm labor. J Pharmacol Exp Ther. 2004 Apr;309(1):414-24. Epub 2004 Jan 13. PubMed PMID: 14722330.