CAS 1064076-86-3

<span class="text-smallcaps">L</span>-Leucine, 4-fluoro-N-[(1S)-2,2,2-trifluoro-1-[4′-(methylsulfonyl)[1,1′-biphenyl]-4-yl]ethyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)

Description:

The chemical substance identified as "L-Leucine, 4-fluoro-N-[(1S)-2,2,2-trifluoro-1-[4′-(methylsulfonyl)[1,1′-biphenyl]-4-yl]ethyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)" and bearing the CAS number 1064076-86-3 is a complex organic compound that features a combination of amino acid and fluorinated moieties. It includes L-Leucine, an essential branched-chain amino acid known for its role in protein synthesis and metabolic regulation. The presence of fluorine atoms suggests enhanced lipophilicity and potential biological activity, while the methylsulfonyl and biphenyl groups may contribute to its pharmacological properties. The compound is likely to exhibit specific stereochemistry due to the presence of chiral centers, which can influence its interaction with biological targets. Additionally, the inclusion of N-cyclohexylcyclohexanamine indicates a potential for forming stable complexes or salts, which may affect solubility and bioavailability. Overall, this compound's unique structure suggests potential applications in medicinal chemistry, particularly in the development of therapeutics.

Formula: C₃₃H₄₆F₄N₂O₄S

InChI: InChI=1S/C21H23F4NO4S.C12H23N/c1-20(2,22)12-17(19(27)28)26-18(21(23,24)25)15-6-4-13(5-7-15)14-8-10-16(11-9-14)31(3,29)30;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-11,17-18,26H,12H2,1-3H3,(H,27,28);11-13H,1-10H2/t17-,18-;/m0./s1

InChI key: InChIKey=XPOZLVHDSYOJLL-APTPAJQOSA-N

SMILES: [C@@H](N[C@@H](CC(C)(C)F)C(O)=O)([C@](F)(F)F)C1=CC=C(C=C1)C2=CC=C(S(C)(=O)=O)C=C2.N(C1CCCCC1)C2CCCCC2

Synonyms:

• L-Leucine, 4-fluoro-N-[(1S)-2,2,2-trifluoro-1-[4′-(methylsulfonyl)[1,1′-biphenyl]-4-yl]ethyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)
• L-Leucine, 4-fluoro-N-[(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl]-, compd. with N-cyclohexylcyclohexanamine
• Dicyclohexylamine (S)-4-fluoro-4-methyl-2-(((S)-2,2,2-trifluoro-1-(4'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)ethyl)amino)pentanoate

L-Leucine, 4-fluoro-N-[(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl]-, compd. with N-cyclohexylcyclohexanamine

CAS: 1064076-86-3

Formula: C₃₃H₄₆F₄N₂O₄S

Purity: 98%

Color and Shape: Solid

Molecular weight: 642.7880

Ref: IN-DA00IM8B

Dicyclohexylamine (S)-4-fluoro-4-methyl-2-(((S)-2,2,2-trifluoro-1-(4'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)ethyl)amino)pentanoate

CAS: 1064076-86-3

Dicyclohexylamine (S)-4-fluoro-4-methyl-2-(((S)-2,2,2-trifluoro-1-(4'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)ethyl)amino)pentanoate

Purity: 98%

Molecular weight: 642.79g/mol

Ref: 54-PC110914