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

5-((4-((6-Chlorothieno[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-2-fluorobenzonitrile maleate

CAS: 866206-55-5

Formula: C₂₃H₂₁ClFN₅O₄S

Purity: 98%

Molecular weight: 517.9603

Ref: IN-DA00H0TM

PRX-08066 Maleic acid

CAS: 866206-55-5

PRX-08066 Maleic acid

Purity: ≥95%

Molecular weight: 517.96g/mol

Ref: 54-BUP20765

PRX-08066 Maleic acid

CAS: 866206-55-5

PRX-08066 Maleic acid is the salt form of PRX-08066.PRX-08066 is a 5-HT receptor 2B antagonist that induces selective vasodilation of the pulmonary artery.

Formula: C₂₃H₂₁ClFN₅O₄S

Purity: 97.59%

Color and Shape: Solid

Molecular weight: 517.96

Ref: TM-T6959