CAS 130049-87-5

9-(Acetyloxy)-3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

Description:

The chemical substance known as 9-(Acetyloxy)-3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, with the CAS number 130049-87-5, is a complex organic compound characterized by its multi-cyclic structure, which includes a pyrido[1,2-a]pyrimidine core. This compound features various functional groups, including an acetyloxy group and a fluorinated benzisoxazole moiety, contributing to its potential biological activity. The presence of a piperidine ring suggests possible interactions with biological targets, making it of interest in medicinal chemistry. Its molecular structure indicates potential lipophilicity due to the aromatic and aliphatic components, which may influence its pharmacokinetic properties. Additionally, the fluorine atom may enhance metabolic stability and bioactivity. Overall, this compound's unique structural features position it as a candidate for further investigation in drug development, particularly in areas related to neurological or psychiatric disorders, although specific biological activities would require empirical studies for validation.

Formula: C₂₅H₂₉FN₄O₄

InChI: InChI=1S/C25H29FN4O4/c1-15-19(25(32)30-10-3-4-21(24(30)27-15)33-16(2)31)9-13-29-11-7-17(8-12-29)23-20-6-5-18(26)14-22(20)34-28-23/h5-6,14,17,21H,3-4,7-13H2,1-2H3

InChI key: InChIKey=XXBVHRGNIXZZIW-UHFFFAOYSA-N

SMILES: FC=1C=C2C(C(=NO2)C3CCN(CCC=4C(=O)N5C(=NC4C)C(OC(C)=O)CCC5)CC3)=CC1

Synonyms:

• 4H-Pyrido[1,2-a]pyrimidin-4-one, 9-(acetyloxy)-3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-
• 9-(Acetyloxy)-3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
• 1,2-Benzisoxazole, 4H-pyrido[1,2-a]pyrimidin-4-one deriv.
• Paliperidone Impurity PYX

9-O-Acetyl Paliperidone

Controlled Product

CAS: 130049-87-5

Applications 9-O-Acetyl Paliperidone can be synthesized in one step from Paliperidone (P141000), a combined serotonin (5-HT2) and dopamine (D2) receptor antagonist.
References Tiberghien, F., et al.: Anticancer Drugs, 7, 568 (1996), Kansy, M., et al.: J. Med. Chem., 41, 1007 (1998), Kerns, E., et al.: J. Pharm. Sci., 90, 1838 (2001), Kerr, K., et al.: J. Biol. Chem., 276, 8657 (2001), Doran, A., et al.: Drug Metab. Dispos., 33, 165 (2005),

Formula: C₂₅H₂₉FN₄O₄

Color and Shape: Neat

Molecular weight: 468.521

Ref: TR-A188738