CAS 149690-12-0: [1,1′-Biphenyl]-4-pentanoic acid, γ-amino-α-methyl-, ethyl ester, hydrochloride (1:1), (αR,γS)-
Description:[1,1′-Biphenyl]-4-pentanoic acid, γ-amino-α-methyl-, ethyl ester, hydrochloride (1:1), (αR,γS)- is a chemical compound characterized by its biphenyl structure, which consists of two phenyl rings connected by a single bond. This compound features a pentanoic acid moiety, indicating the presence of a five-carbon chain with a carboxylic acid functional group, along with an amino group that contributes to its basicity. The ethyl ester form suggests that the carboxylic acid is esterified with an ethyl group, enhancing its lipophilicity and potentially influencing its biological activity. The hydrochloride salt form indicates that the compound is protonated, which can improve its solubility in aqueous environments. The stereochemistry is specified as (αR,γS), indicating the specific three-dimensional arrangement of atoms around the chiral centers, which can significantly affect the compound's pharmacological properties. Overall, this compound may have applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways.
Formula:C20H25NO2·ClH
InChI:InChI=1S/C20H25NO2.ClH/c1-3-23-20(22)15(2)13-19(21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17;/h4-12,15,19H,3,13-14,21H2,1-2H3;1H/t15-,19+;/m1./s1
InChI key:InChIKey=MYJTZLYRAWUSLB-WSCVZUBPSA-N
SMILES:Cl.O=C(OCC)C(C)CC(N)CC=1C=CC(=CC1)C=2C=CC=CC2
- Synonyms:
- (2R,4S)-4-Amino-5-(biphenyl-4-yl)-2-methyl pentanoic acid ethyl ester hydrochloride
- (2R,4S)-4-Amino-5-(biphenyl-4-yl)-2-methylpentanoic acid ethyl ester hydrochloride
- Ethyl (2R,4S)-5-([1,1′-biphenyl]-4-yl)-4-amino-2-methylpentanoate hydrochloride
- [1,1′-Biphenyl]-4-pentanoic acid, γ-amino-α-methyl-, ethyl ester, hydrochloride (1:1), (αR,γS)-
- [1,1′-Biphenyl]-4-pentanoic acid, γ-amino-α-methyl-, ethyl ester, hydrochloride, [S-(R*,S*)]-
- (2R,4S)-Ethyl-5-([1,1′-biphenyl]-4-yl)-4-amino-2-methylpentanoate hydrochloride