CAS 464930-42-5: D-Phenylalaninamide, (3R)-3-(1,3-benzodioxol-5-yl)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]-β-alanyl-4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N-methyl-N-(1-methylethyl)-, hydrochloride (1:1)
Description:D-Phenylalaninamide, with the CAS number 464930-42-5, is a complex organic compound characterized by its specific structural features, including a phenylalanine derivative and a sulfonamide group. This compound exhibits a chiral center, which contributes to its stereochemical properties, making it relevant in pharmaceutical applications. The presence of a benzodioxole moiety suggests potential interactions with biological targets, possibly influencing its pharmacological activity. Additionally, the compound contains a naphthalene ring and a piperidine structure, which may enhance its lipophilicity and ability to cross biological membranes. As a hydrochloride salt, it is likely to be more soluble in aqueous environments, facilitating its use in various formulations. The compound's intricate structure indicates potential for specific interactions with receptors or enzymes, making it a candidate for further investigation in medicinal chemistry. Overall, its unique combination of functional groups and stereochemistry positions it as a compound of interest in drug development and research.
Formula:C42H52N4O7S·ClH
InChI:InChI=1S/C42H52N4O7S.ClH/c1-27(2)45(5)42(48)38(20-30-10-12-31(13-11-30)25-46-28(3)8-7-9-29(46)4)43-41(47)24-37(34-16-19-39-40(23-34)53-26-52-39)44-54(49,50)36-18-15-32-21-35(51-6)17-14-33(32)22-36;/h10-19,21-23,27-29,37-38,44H,7-9,20,24-26H2,1-6H3,(H,43,47);1H/t28-,29+,37-,38-;/m1./s1
InChI key:InChIKey=GLHHFOSVBQQNAW-GDYXXZBVSA-N
SMILES:Cl.O=C(NC(C(=O)N(C)C(C)C)CC1=CC=C(C=C1)CN2C(C)CCCC2C)CC(NS(=O)(=O)C3=CC=C4C=C(OC)C=CC4=C3)C5=CC=C6OCOC6=C5
- Synonyms:
- D-Phenylalaninamide, (3R)-3-(1,3-benzodioxol-5-yl)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]-β-alanyl-4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N-methyl-N-(1-methylethyl)-, hydrochloride (1:1)
- D-Phenylalaninamide, (3R)-3-(1,3-benzodioxol-5-yl)-N-[(6-methoxy-2-naphthalenyl)sulfonyl]-β-alanyl-4-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]methyl]-N-methyl-N-(1-methylethyl)-, monohydrochloride
- SSR 240612
