CAS 195529-54-5

(2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-[(2,6-diethylphenyl)amino]-2-oxoethyl]-2-(4-propoxyphenyl)-3-pyrrolidinecarboxylic acid

Description:

The chemical substance with the name "(2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-[(2,6-diethylphenyl)amino]-2-oxoethyl]-2-(4-propoxyphenyl)-3-pyrrolidinecarboxylic acid" and CAS number "195529-54-5" is a complex organic compound characterized by its multi-ring structure and various functional groups. It features a pyrrolidine ring, which contributes to its potential biological activity, and includes a carboxylic acid functional group that may influence its solubility and reactivity. The presence of a benzodioxole moiety suggests potential interactions with biological targets, possibly related to pharmacological effects. Additionally, the compound contains an amine group linked to a diethylphenyl structure, which may enhance its lipophilicity and influence its binding properties. Overall, this compound's stereochemistry, indicated by the (2R,3R,4S) configuration, is crucial for its biological activity, as stereoisomers can exhibit significantly different properties and effects in biological systems. Further studies would be necessary to elucidate its specific applications and mechanisms of action.

Formula: C₃₃H₃₈N₂O₆

InChI: InChI=1S/C33H38N2O6/c1-4-16-39-25-13-10-23(11-14-25)32-30(33(37)38)26(24-12-15-27-28(17-24)41-20-40-27)18-35(32)19-29(36)34-31-21(5-2)8-7-9-22(31)6-3/h7-15,17,26,30,32H,4-6,16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1

InChI key: InChIKey=LQEHCKYYIXQEBM-FUKIBTTHSA-N

SMILES: C(O)(=O)[C@H]1[C@@H](N(CC(NC2=C(CC)C=CC=C2CC)=O)C[C@@H]1C=3C=C4C(=CC3)OCO4)C5=CC=C(OCCC)C=C5

Synonyms:

• (2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-[(2,6-diethylphenyl)amino]-2-oxoethyl]-2-(4-propoxyphenyl)-3-pyrrolidinecarboxylic acid
• 3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-[2-[(2,6-diethylphenyl)amino]-2-oxoethyl]-2-(4-propoxyphenyl)-, (2R,3R,4S)-
• 3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-[2-[(2,6-diethylphenyl)amino]-2-oxoethyl]-2-(4-propoxyphenyl)-, [2R-(2α,3β,4α)]-
• 3-Pyrrolidinecarboxylicacid,4-(1,3-benzodioxol-5-yl)-1-[2-[(2,6-diethylphenyl)amino]-2-oxoethyl]-2-(4-propoxyphenyl)-,[2R-(2a,3b,4a)]-
• A 192621
• A 192621.1

A-192621

CAS: 195529-54-5

A-192621 is a selective blocker of T-type calcium channels, which is a synthetic compound. It specifically interacts with the alpha-1G subtype of calcium channels, thereby inhibiting calcium ion influx through these channels. This blockade allows researchers to study the physiological and pathological roles of T-type calcium channels in the central nervous system and peripheral tissues.

Formula: C₃₃H₃₈N₂O₆

Purity: Min. 95%

Molecular weight: 558.7 g/mol

Ref: 3D-VHA52954

A-192621

CAS: 195529-54-5

A-192621 is a potent, nonpeptide, orally active, and selective endothelin B (ETB) receptor antagonist with an IC50 of 4.5 nM and a Ki of 8.8 nM. A-192621 promotes apoptosis in PASMCs and elevates both arterial blood pressure and plasma ET-1 levels[1][2][3]. Its selectivity is 636-fold higher for ETB than ETA (IC50 of 4280 nM and Ki of 5600 nM).

Formula: C₃₃H₃₈N₂O₆

Purity: 98%

Color and Shape: Solid

Molecular weight: 558.66

Ref: TM-T14068