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CAS 866206-55-5

:

Benzonitrile, 5-[[4-[(6-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidinyl]methyl]-2-fluoro-, (2Z)-2-butenedioate (1:1)

Description:
Benzonitrile, 5-[[4-[(6-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidinyl]methyl]-2-fluoro-, (2Z)-2-butenedioate (1:1), identified by CAS number 866206-55-5, is a complex organic compound characterized by its unique structural features. It contains a benzonitrile moiety, which is a nitrile derivative of benzene, contributing to its aromatic properties. The presence of a thieno[2,3-d]pyrimidine ring system indicates potential biological activity, as this structure is often associated with pharmacological agents. The compound also features a piperidine ring, which is known for its role in enhancing solubility and bioavailability in medicinal chemistry. The inclusion of a fluoro group suggests increased lipophilicity and potential for improved interaction with biological targets. As a butenedioate derivative, it may exhibit specific reactivity patterns, particularly in esterification or amidation reactions. Overall, this compound's intricate structure suggests potential applications in pharmaceuticals, particularly in the development of targeted therapies. However, detailed studies would be necessary to fully elucidate its properties and biological activities.
Formula:C19H17ClFN5S·C4H4O4
InChI:InChI=1S/C19H17ClFN5S.C4H4O4/c20-17-8-15-18(23-11-24-19(15)27-17)25-14-3-5-26(6-4-14)10-12-1-2-16(21)13(7-12)9-22;5-3(6)1-2-4(7)8/h1-2,7-8,11,14H,3-6,10H2,(H,23,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChI key:InChIKey=RPYIKXHIQXRXEM-BTJKTKAUSA-N
SMILES:N(C1=C2C(SC(Cl)=C2)=NC=N1)C3CCN(CC4=CC(C#N)=C(F)C=C4)CC3.C(=C\C(O)=O)\C(O)=O
Synonyms:
  • Benzonitrile, 5-[[4-[(6-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidinyl]methyl]-2-fluoro-, (2Z)-2-butenedioate (1:1)
  • PRX-08066 maleic acid
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