CAS 148927-60-0

(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

Description:

The chemical substance known as (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, with the CAS number 148927-60-0, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as amines, sulfonamides, and bicyclic systems. This compound exhibits chirality, indicated by the presence of stereocenters, which can influence its biological activity and pharmacological properties. It is often studied in the context of medicinal chemistry, particularly for its potential therapeutic applications. The presence of a piperazine ring and various substituents suggests that it may interact with specific biological targets, making it of interest in drug development. Additionally, its solubility, stability, and reactivity can be influenced by the functional groups present, which are critical for understanding its behavior in biological systems and its potential efficacy as a pharmaceutical agent.

Formula: C₂₆H₄₂N₄O₅S₂

InChI: InChI=1S/C26H42N4O5S2/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)/t20-,21+,23+,26-/m1/s1

InChI key: InChIKey=MWIASLNTAGRGGA-ZJPWWDJASA-N

SMILES: C(S(=O)(=O)N1CCN(CC1)C2=C(C)C=CC=C2)[C@]34[C@@H](NC([C@H](CCS(C)(=O)=O)N)=O)C[C@]([C@@]3(C)C)(CC4)[H]

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
• (2S)-2-amino-N-[(1S,4R)-7,7-dimethyl-1-({[4-(2-methylphenyl)piperazin-1-yl]sulfonyl}methyl)bicyclo[2.2.1]hept-2-yl]-4-(methylsulfonyl)butanamide
• 1-(((7,7-Dimethyl-2-(2-amino-4-(methylsulfonyl)butyramido)bicyclo(2.2.1)heptan-1-yl)methyl)sulfonyl)-4-(2-methylphenyl)piperazine
• Butanamide, 2-amino-N-(7,7-dimethyl-1-(((4-(2-methylphenyl)-1-piperazinyl)sulfonyl)methyl)bicyclo(2.2.1)hept-2-yl)-4-(methylsulfonyl)-, (1S-(1alpha,2alpha(R*),4beta))-
• Butanamide, 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)-, (2S)-
• Butanamide, 2-amino-N-[7,7-dimethyl-1-[[[4-(2-methylphenyl)-1-piperazinyl]sulfonyl]methyl]bicyclo[2.2.1]hept-2-yl]-4-(methylsulfonyl)-, [1S-[1α,2α(R*),4β]]-
• L 368899

L-368,899 Dihydrochloride

Controlled Product

CAS: 148927-60-0

Applications L-368,899 Hydrochloride is an oxytoxin antagonist and may beused in the treatment of early pregnancy failure.
References Mann, G.. et al.: Domestic Animal Endocrinol., 25, 255 (2003);

Formula: C₂₆H₄₂N₄O₅S₂·2(HCl)

Color and Shape: Off-White

Molecular weight: 554.77 + 2(36.46)

Ref: TR-H942958

L 368899

CAS: 148927-60-0

Oxytocin antagonist

Formula: C₂₆H₄₂N₄O₅S₂

Purity: Min. 95%

Molecular weight: 554.77 g/mol

Ref: 3D-FD43267

L-368899 free base

CAS: 148927-60-0

L-368899: non-peptide, oral oxytocin receptor antagonist (IC50: 8.9 nM), 40x more selective than vasopressin V1a/V2.

Formula: C₂₆H₄₂N₄O₅S₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 554.77

Ref: TM-T24370