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3-(2-Oxo-piperidin-1-yl)-benzoic acid methyl ester is a chemical compound with the molecular formula C15H17NO3. It is a methyl ester derivative of benzoic acid and contains a piperidine ring with a ketone functional group attached to the nitrogen atom. 3-(2-OXO-PIPERIDIN-1-YL)-BENZOIC ACID METHYL ESTER may have potential applications in pharmaceutical research and drug development due to its structural features.

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  • 168162-28-5 Structure
  • Basic information

    1. Product Name: 3-(2-OXO-PIPERIDIN-1-YL)-BENZOIC ACID METHYL ESTER
    2. Synonyms: 3-(2-OXO-PIPERIDIN-1-YL)-BENZOIC ACID METHYL ESTER;Methyl 3-(2-oxopiperidin-1-yl)benzoate
    3. CAS NO:168162-28-5
    4. Molecular Formula: C13H15NO3
    5. Molecular Weight: 233.2631
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 168162-28-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 3-(2-OXO-PIPERIDIN-1-YL)-BENZOIC ACID METHYL ESTER(CAS DataBase Reference)
    10. NIST Chemistry Reference: 3-(2-OXO-PIPERIDIN-1-YL)-BENZOIC ACID METHYL ESTER(168162-28-5)
    11. EPA Substance Registry System: 3-(2-OXO-PIPERIDIN-1-YL)-BENZOIC ACID METHYL ESTER(168162-28-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 168162-28-5(Hazardous Substances Data)

168162-28-5 Usage

Uses

Used in Pharmaceutical Research:
3-(2-Oxo-piperidin-1-yl)-benzoic acid methyl ester is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its unique structure allows for the development of new drugs with potential therapeutic applications.
Used in Drug Development:
3-(2-Oxo-piperidin-1-yl)-benzoic acid methyl ester is used as a lead compound in drug discovery and development. Its structural features can be further modified to optimize its pharmacological properties and enhance its therapeutic potential.

Check Digit Verification of cas no

The CAS Registry Mumber 168162-28-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,8,1,6 and 2 respectively; the second part has 2 digits, 2 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 168162-28:
(8*1)+(7*6)+(6*8)+(5*1)+(4*6)+(3*2)+(2*2)+(1*8)=145
145 % 10 = 5
So 168162-28-5 is a valid CAS Registry Number.

168162-28-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 3-(2-oxopiperidin-1-yl)benzoate

1.2 Other means of identification

Product number -
Other names Benzoic acid,3-(2-oxo-1-piperidinyl)-,methyl ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:168162-28-5 SDS

168162-28-5Relevant articles and documents

Process of preparing benzodiazepine compounds useful as antagonists of CCK or of gastrine

-

, (2008/06/13)

A benzodiazepine derivative of formula I, or a pharmaceutically acceptable salt thereof: STR1 wherein: (a) R4 is an alkyl, cycloalkyl or aryl group. (b) R10 is chosen from halo, OH, CH3, OCH3, NR11 R12, NO2, NHCHO, CO2 H and CN, and R11 and R12 are independently selected from H and alkyl (C1 -C5) or together NR11 R12 form a cyclic structure II, STR2 wherein a is 1-6; and (c) R2 is an aromatic 5- or 6-membered, substituted or unsubstituted heterocycle containing at least two heteroatoms of which at least one is nitrogen. These compounds are gastrin and/or CCK-B receptor antagonists.

(3R)-N-(1-(tert-butylcarbonylmethyl)-2,3-dihydro-2-oxo-5-(2-pyridyl)- 1H-1,4-benzodiazepin-3-yl)-N'-(3-(methylamino)phenyl)urea (YF476): A potent and orally active gastrin/CCK-B antagonist

Semple, Graeme,Ryder, Hamish,Rooker, David P.,Batt, Andrzej R.,Kendrick, David A.,Szelke, Michael,Ohta, Mitsuaki,Satoh, Masato,Nishida, Akito,Akuzawa, Shinobu,Miyata, Keiji

, p. 331 - 341 (2007/10/03)

A number of new 1,4-benzodiazepin-2-one-based gastrin/CCK-B receptor antagonists related to the archetypal analogue L-365,260, and more closely to the recently reported compound YM022, have been synthesized and evaluated for biological activity. The compounds were screened for their ability to inhibit the binding of [125I]CCK-8 to gastrin/CCK-B receptors prepared from rat brains and that of [3H]L-364,718 to CCK-A receptors from rat pancreas, and were shown to be potent and selective ligands for the gastrin/CCK-B receptor. Functional studies in vivo demonstrated the compounds to be antagonists of the receptor as evidenced by their ability to inhibit pentagastrin-induced gastric acid secretion in anesthetized rats. More extensive evaluation in viva included determination of ED50 values in the rat acid secretion model for selected compounds and an examination of the effect of these compounds on pentagastrin-induced gastric acid secretion in Heidenhain pouch dogs following oral and intravenous administration. Two compounds, i.e. (3R)-N- [1-[(tert-butylcarbonyl)methyl]-2,3-dihydro-2-oxo-5-(2-pyridyl)-1H-1,4- benzodiazepin-3-yl]-N'-[3-(methylamino)phenyl]urea, 15c (YF476), and (3R)-N- [1-[(tert-Butylcarbonyl)methyl]-2,3-dihydro-2-oxo-5-(2-pyridyl)-1H-1,4- benzodiazepin-3-yl]-N'-[3-(dimethylamino)phenyl]urea hydrochloride, 15d, showed potent dose-dependent effects in both models with the former showing excellent oral bioavailability and an ED50 of 21 nmol/kg po in dogs. 15e is currently under clinical investigation for the treatment of gastro-oesophagal reflux disease (GORD).

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