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CAS 1032903-64-2

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1,1-Dimethylethyl 4-[4-[[5-chloro-4-[[2-[(1-methylethyl)sulfonyl]phenyl]amino]-2-pyrimidinyl]amino]-2-methyl-5-(1-methylethoxy)phenyl]-1-piperidinecarboxylate

Description:
1,1-Dimethylethyl 4-[4-[[5-chloro-4-[[2-[(1-methylethyl)sulfonyl]phenyl]amino]-2-pyrimidinyl]amino]-2-methyl-5-(1-methylethoxy)phenyl]-1-piperidinecarboxylate, with CAS number 1032903-64-2, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as sulfonyl, amino, and ester moieties. This compound is typically classified as a pharmaceutical intermediate or active ingredient, often utilized in medicinal chemistry for its potential therapeutic applications. Its structure suggests it may exhibit specific biological activities, possibly related to enzyme inhibition or receptor modulation. The presence of chlorine and various alkyl groups may influence its lipophilicity and solubility, impacting its pharmacokinetic properties. Additionally, the compound's stability, reactivity, and interaction with biological systems would be of interest in drug development and formulation. As with many complex organic molecules, safety and handling considerations are essential, particularly regarding its synthesis and potential toxicity.
Formula:C33H44ClN5O5S
InChI:InChI=1S/C33H44ClN5O5S/c1-20(2)43-28-18-24(23-13-15-39(16-14-23)32(40)44-33(6,7)8)22(5)17-27(28)37-31-35-19-25(34)30(38-31)36-26-11-9-10-12-29(26)45(41,42)21(3)4/h9-12,17-21,23H,13-16H2,1-8H3,(H2,35,36,37,38)
InChI key:InChIKey=XZEGNDOSDCUVAJ-UHFFFAOYSA-N
SMILES:CC=1C(=CC(OC(C)C)=C(NC=2N=C(NC3=C(S(C(C)C)(=O)=O)C=CC=C3)C(Cl)=CN2)C1)C4CCN(C(OC(C)(C)C)=O)CC4
Synonyms:
  • 1-Piperidinecarboxylic acid, 4-[4-[[5-chloro-4-[[2-[(1-methylethyl)sulfonyl]phenyl]amino]-2-pyrimidinyl]amino]-2-methyl-5-(1-methylethoxy)phenyl]-, 1,1-dimethylethyl ester
  • 4-[4-[[5-Chloro-4-[[2-[(propan-2-yl)sulfonyl]phenyl]amino]pyrimidin-2-yl]amino]-5-isopropoxy-2-methylphenyl]piperidine-1-carboxylic acid tert-butyl ester
  • 1,1-Dimethylethyl 4-[4-[[5-chloro-4-[[2-[(1-methylethyl)sulfonyl]phenyl]amino]-2-pyrimidinyl]amino]-2-methyl-5-(1-methylethoxy)phenyl]-1-piperidinecarboxylate
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