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CAS 1374745-52-4

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(S)-2-amino-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)propanoic acid benzenesulfonic acid

Description:
(S)-2-amino-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)propanoic acid benzenesulfonic acid, with CAS number 1374745-52-4, is a complex organic compound characterized by its multi-functional structure. It features an amino acid backbone, specifically a propanoic acid derivative, which is substituted with various aromatic and heterocyclic groups. The presence of a benzenesulfonic acid moiety suggests it may exhibit acidic properties, potentially enhancing its solubility in polar solvents. The compound also contains a trifluoroethoxy group, which can influence its lipophilicity and biological activity. Additionally, the presence of a pyrazole ring and a chlorinated phenyl group indicates potential pharmacological relevance, possibly as a pharmaceutical agent. The stereochemistry, indicated by the (S) and (R) designations, suggests specific spatial arrangements that may be crucial for its biological interactions. Overall, this compound's intricate structure implies a diverse range of potential applications, particularly in medicinal chemistry.
Formula:C31H28ClF3N6O6S
InChI:InChI=1S/C25H22ClF3N6O3.C6H6O3S/c1-13-8-9-35(34-13)20-11-16(26)6-7-17(20)22(25(27,28)29)38-21-12-19(32-24(31)33-21)15-4-2-14(3-5-15)10-18(30)23(36)37;7-10(8,9)6-4-2-1-3-5-6/h2-9,11-12,18,22H,10,30H2,1H3,(H,36,37)(H2,31,32,33);1-5H,(H,7,8,9)/t18-,22+;/m0./s1
InChI key:WYZQOTLDKIRRDC-VNJAQMQMSA-N
SMILES:CC1=NN(C=C1)C2=C(C=CC(=C2)Cl)[C@H](C(F)(F)F)OC3=NC(=NC(=C3)C4=CC=C(C=C4)C[C@@H](C(=O)O)N)N.C1=CC=C(C=C1)S(=O)(=O)O
Synonyms:
  • (S)-2-amino-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)propanoic acid benzenesul
  • (S)-2-amino-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)propanoic acid benzenesulfonic acid
  • 4-[2-Amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-L-phenylalanine,benzenesulfonate (1:1)
  • TELOTRISTAT BESILATE
  • (2S)-2-amino-3-[4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]phenyl]propanoic acid
  • L-Phenylalanine, 4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-, benzenesulfonate (1:1)
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