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CAS 1208319-27-0

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Cyclohexanemethanesulfonamide, N-methyl-4-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-, trans-, (2Z)-2-butenedioate (1:?)

Description:
Cyclohexanemethanesulfonamide, N-methyl-4-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-, trans-, (2Z)-2-butenedioate is a complex organic compound characterized by its unique structural features, including a cyclohexane ring, a sulfonamide group, and a pyrrolo-pyrimidine moiety. The presence of the sulfonamide functional group suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals due to its ability to interact with biological targets. The compound's trans configuration and the (2Z)-2-butenedioate moiety indicate specific stereochemical properties that may influence its reactivity and biological activity. Additionally, the N-methyl substitution on the pyrimidine ring can enhance lipophilicity, potentially affecting the compound's solubility and permeability. Overall, this compound's intricate structure may confer unique pharmacological properties, making it a subject of interest in drug discovery and development. Further studies would be necessary to elucidate its specific biological activities and potential therapeutic applications.
Formula:C15H23N5O2S·xC4H4O4
InChI:InChI=1/C15H23N5O2S.C4H4O4/c1-16-23(21,22)9-11-3-5-12(6-4-11)20(2)15-13-7-8-17-14(13)18-10-19-15;5-3(6)1-2-4(7)8/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1-/t11-,12-;
InChI key:InChIKey=VQIGDTLRBSNOBV-VQIYXBGXNA-N
SMILES:N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3CC[C@H](CS(NC)(=O)=O)CC3.C(=C\C(O)=O)\C(O)=O
Synonyms:
  • Oclacitinib maleate
  • PF-03394197 maleate
  • Apoquel
  • PF 03394197-11
  • Cyclohexanemethanesulfonamide, N-methyl-4-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-, trans-, (2Z)-2-butenedioate (1:?)
  • VQIGDTLRBSNOBV-DYXOGNCHSA-N
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Found 6 products.