L-368,899 hydrochloride - ≥97% , CAS No.160312-62-9

CAS: 160312-62-9 Cat. No.: L288722 Molecular Weight: 591.23 PubChem CID: 90488775

GRADE & PURITY ≥97%

Synonyms

(2S)-2-Amino-N-[(1S,2S,4R)-7,7-dimethyl-1-[[[4-(2-methylphenyl)-1-piperazinyl]sulfonyl]methyl]bicyclo[2.2.1]hept-2-yl]-4-(methylsulfonyl)butanamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

L-368,899 hydrochloride is a potent, selective, orally bioavailable, non-peptide oxytocin receptor antagonist, with IC50s of 8.9 nM and 26 nM for rat uterus and human uterus oxytocin receptor, respectively. L-368,899 hydrochloride used as a tocolytic agent.

Specifications

Synonyms

(2S)-2-Amino-N-[(1S, 2S, 4R)-7, 7-dimethyl-1-[[[4-(2-methylphenyl)-1-piperazinyl]sulfonyl]methyl]bicyclo[2.2.1]hept-2-yl]-4-(methylsulfonyl)butanamide

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

Potent, non-peptide and orally active oxytocin receptor antagonist (IC50= 8.9 nM) that displays > 40-fold selectivity over Vasotocin V1aand V2receptors (IC50values are 370 and 570 nM respectively). Antagonizes oxytocin-induced uterine contractionsin vitro

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)CC34CCC(C3(C)C)CC4NC(=O)C(CCS(=O)(=O)C)N.Cl
• IUPAC Name: (2S)-2-amino-N-[(2S)-7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-2-bicyclo[2.2.1]heptanyl]-4-methylsulfonylbutanamide;hydrochloride
• InChIKey: GIUFQWFJHXXXEQ-PHSYAEQHSA-N
• INCHI: 1S/C26H42N4O5S2.ClH/c1-19-7-5-6-8-22(19)29-12-14-30(15-13-29)37(34,35)18-26-11-9-20(25(26,2)3)17-23(26)28-24(31)21(27)10-16-36(4,32)33;/h5-8,20-21,23H,9-18,27H2,1-4H3,(H,28,31);1H/t20?,21-,23-,26?;/m0./s1
• Isomeric SMILES: CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)CC34CCC(C3(C)C)C[C@@H]4NC(=O)[C@H](CCS(=O)(=O)C)N.Cl
• PubChem CID: 90488775
• Molecular Weight: 591.23

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 59.12, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 59.12, Max Conc. mM: 100