261777-31-5

Basic information

• Product Name: 4-PHENYL-PIPERIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER
• Synonyms: N-BOC-4-PHENYL-PIPECOLIC ACID;4-PHENYL-PIPERIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER;1-(TERT-BUTOXYCARBONYL)-4-PHENYLPIPERIDINE-2-CARBOXYLIC ACID
• CAS NO: 261777-31-5
• Molecular Formula: C17H23NO4
• Molecular Weight: 305.37
• Mol File: 261777-31-5.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 454.9±45.0 °C(Predicted)
• Appearance: /
• Density: 1.169±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 3.94±0.40(Predicted)
• CAS DataBase Reference: 4-PHENYL-PIPERIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-PHENYL-PIPERIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER(261777-31-5)
• EPA Substance Registry System: 4-PHENYL-PIPERIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER(261777-31-5)

Safety Data

• Hazardous Substances Data: 261777-31-5(Hazardous Substances Data)

Usage

General Description

4-PHENYL-PIPERIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER is a chemical compound with a molecular formula C18H23NO4. It is a tert-butyl ester derivative of 4-phenylpiperidine-2,6-dione, a compound with potential use as an antipsychotic medication. The compound has a pK(a) value of 10.08 and is soluble in organic solvents. It is primarily used in research and development settings for the synthesis of potential pharmaceutical compounds and is not approved for human or animal use. It may also have applications in the fields of medicinal chemistry and drug discovery.

Upstream product

• 124-38-9 carbon dioxide 
• 123387-49-5 tert-butyl 4-phenylpiperidine-1-carboxylate 
• 380381-28-2 4-iodopyridine-2-carboxylic acid methyl ester 
• 18714-17-5 methyl 4-phenylpyridine-2-carboylate 
• 98-80-6 phenylboronic acid 
• 5470-22-4 4-chloropicolinic acid 
• 98-98-6 2-Picolinic acid 
• 24484-93-3 4-Chloro-pyridine-2-carboxylic acid methyl ester 
• 405939-79-9 4-iodo-2-nicotinic acid 

Relevant articles and documents

Discovery of 4-Phenylpiperidine-2-Carboxamide Analogues as Serotonin 5-HT2CReceptor-Positive Allosteric Modulators with Enhanced Drug-like Properties

Targeting the serotonin (5-HT) 5-HT2C receptor (5-HT2CR) allosteric site to potentiate endogenous 5-HT tone may provide novel therapeutics to alleviate the impact of costly, chronic diseases such as obesity and substance use disorders. Expanding upon our recently described 5-HT2CR-positive allosteric modulators (PAMs) based on the 4-alkylpiperidine-2-carboxamide scaffold, we optimized the undecyl moiety at the 4-position with variations of cyclohexyl- or phenyl-containing fragments to reduce rotatable bonds and lipophilicity. Compound 12 (CTW0415) was discovered as a 5-HT2CR PAM with improved pharmacokinetics and reduced off-target interactions relative to our previous series of molecules. The in vivo efficacy of compound 12 to potentiate the effects of a selective 5-HT2CR agonist was established in a drug discrimination assay. Thus, 12 is reported as a 5-HT2CR PAM with characteristics suitable for in vivo pharmacological studies to further probe the biological and behavioral mechanisms of allosteric modulation of a receptor important in several chronic diseases.

ALLOSTERIC MODULATORS OF 5-HYDROXYTRYPTAMINE 2C RECEPTOR (5-HT2CR)

[000166] Embodiments of the invention are directed to methods of identifying, methods of synthesizing, and compositions identified as allosteric modulators of 5-HT2cR.