CAS 63590-19-2

2-[(Z)-{4-carboxy-2-hydroxy-4-[(3R,4R)-3-{[(4-hydroxyphenyl)carbonyl]amino}-2,3,4,5-tetrahydro-1H-azepin-4-yl]-6-oxocyclohex-2-en-1-ylidene}(hydroxy)methyl]-3-hydroxybenzoic acid

Description:

The chemical substance known as "2-[(Z)-{4-carboxy-2-hydroxy-4-[(3R,4R)-3-{[(4-hydroxyphenyl)carbonyl]amino}-2,3,4,5-tetrahydro-1H-azepin-4-yl]-6-oxocyclohex-2-en-1-ylidene}(hydroxy)methyl]-3-hydroxybenzoic acid" with CAS number 63590-19-2 is a complex organic compound characterized by multiple functional groups, including carboxylic acids, hydroxyl groups, and an azepine ring. Its structure suggests significant potential for hydrogen bonding due to the presence of hydroxyl and carboxylic acid groups, which may influence its solubility and reactivity. The compound's stereochemistry, indicated by the (Z) configuration and specific chiral centers, may affect its biological activity and interaction with other molecules. This substance is likely to exhibit properties typical of phenolic compounds, such as antioxidant activity, and may have applications in pharmaceuticals or as a biochemical probe. Its intricate structure and functional diversity make it a subject of interest for further research in medicinal chemistry and related fields.

Formula: C₂₈H₂₆N₂O₁₀

InChI: InChI=1/C28H26N2O10/c31-15-8-6-14(7-9-15)25(36)30-18-13-29-10-2-4-17(18)28(27(39)40)11-20(33)23(21(34)12-28)24(35)22-16(26(37)38)3-1-5-19(22)32/h1-3,5-11,17-18,29,31-33,35H,4,12-13H2,(H,30,36)(H,37,38)(H,39,40)/b24-23-/t17-,18-,28?/m0/s1

InChI key: InChIKey=XYUFCXJZFZPEJD-XMSQKQJNSA-N

SMILES: C(=O)(C1=C(C(O)=O)C=CC=C1O)C2=C(O)C=C(C(O[C@H]3[C@H](NC(=O)C4=CC=C(O)C=C4)CNCCC3)=O)C=C2O

Synonyms:

• Benzoic acid, 4-(2-carboxy-6-hydroxybenzoyl)-3,5-dihydroxy-, 1-[hexahydro-3-[(4-hydroxybenzoyl)amino]-1H-azepin-4-yl] ester, (3R-trans)-
• Ophiocordin
• Azepinostatin
• Benzoic acid, 4-(2-carboxy-6-hydroxybenzoyl)-3,5-dihydroxy-, 1-[(3R,4R)-hexahydro-3-[(4-hydroxybenzoyl)amino]-1H-azepin-4-yl] ester
• Benzoic acid, 4-(2-carboxy-6-hydroxybenzoyl)-3,5-dihydroxy-, (3R,4R)-hexahydro-3-[(4-hydroxybenzoyl)amino]-1H-azepin-4-yl ester
• (-)-Balanol
• 4-(2-Carboxy-6-hydroxybenzoyl)-3,5-dihydroxybenzoic Acid (3R,4R)-Hexahydro-3-[(4-hydroxybenzoyl)aMino]-1H-azepin-4-yl Ester
• (3R-trans)-Balanol
• 4-[2-[[[Hexahydro-4-[(4-hydroxybenzoyl)oxy]-1H-azepin-3-yl]amino]carbonyl]-6-hydroxybenzoyl]-3,5-dihydroxybenzoic acid
• BALANOL

Balanol

CAS: 63590-19-2

Formula: C₂₈H₂₆N₂O₁₀

Molecular weight: 550.53

Ref: 4Z-B-066001

Balanol

CAS: 63590-19-2

Balanol is an ATP-competitive Protein Kinase C and Protein Kinase A inhibitor.

Formula: C₂₈H₂₆N₂O₁₀

Color and Shape: Solid

Molecular weight: 550.51

Ref: TM-T23772