Welcome to LookChem.com Sign In|Join Free

CAS

  • or
4-(PYRID-3-YL)-4-OXO-BUTYRIC ACID HYDROCHLORIDE, also known as γ-Oxo-3-pyridinebutyric Acid, is a monocarboxylic acid derivative of succinic acid with a pyridin-3-yl group replacing the hydroxy group of one of its carboxy groups. It is a white powdery substance and is a metabolite of tobacco-specific N-nitrosamines, generated by cytochrome P-450, which catalyzes methyl itrosaminopyridylbutanone hydroxylation. This nicotine metabolite is commonly found in the urine of smokers.

4192-31-8 Suppliers

Post Buying Request

Recommended suppliersmore

  • Product
  • FOB Price
  • Min.Order
  • Supply Ability
  • Supplier
  • Contact Supplier
  • 4192-31-8 Structure
  • Basic information

    1. Product Name: 4-(PYRID-3-YL)-4-OXO-BUTYRIC ACID HYDROCHLORIDE
    2. Synonyms: 4-(PYRID-3-YL)-4-OXO-BUTYRIC ACID HYDROCHLORIDE;3-succinoylpyridine;4-oxo-4-pyridin-3-yl-butanoic acid;-Oxo-3-pyridinebutyric Acid;4-keto-4-(3-pyridyl)butyric acid;4-Oxo-4-(pyridin-3-yl)butanoic acid HCl;γ-Oxo-3-pyridinebutyric Acid Also see: P992575 ;4-(3-Pyridyl)-4-oxobutyric Acid
    3. CAS NO:4192-31-8
    4. Molecular Formula: C9H9NO3
    5. Molecular Weight: 215.63
    6. EINECS: N/A
    7. Product Categories: Nicotine Derivatives
    8. Mol File: 4192-31-8.mol
  • Chemical Properties

    1. Melting Point: 129-130°C
    2. Boiling Point: 405.7°Cat760mmHg
    3. Flash Point: 199.2°C
    4. Appearance: /
    5. Density: 1.263g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: -20°C Freezer
    8. Solubility: DMSO, Methanol
    9. CAS DataBase Reference: 4-(PYRID-3-YL)-4-OXO-BUTYRIC ACID HYDROCHLORIDE(CAS DataBase Reference)
    10. NIST Chemistry Reference: 4-(PYRID-3-YL)-4-OXO-BUTYRIC ACID HYDROCHLORIDE(4192-31-8)
    11. EPA Substance Registry System: 4-(PYRID-3-YL)-4-OXO-BUTYRIC ACID HYDROCHLORIDE(4192-31-8)
  • 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: 4192-31-8(Hazardous Substances Data)

4192-31-8 Usage

Uses

Used in Organic Synthesis:
4-(PYRID-3-YL)-4-OXO-BUTYRIC ACID HYDROCHLORIDE is used as an intermediate in organic synthesis for the production of various chemical compounds.
Used in Metabolite Research:
As a metabolite of NNK (Cat. # M325750), 4-(PYRID-3-YL)-4-OXO-BUTYRIC ACID HYDROCHLORIDE is used in research related to tobacco-specific N-nitrosamines and their effects on human health, particularly in the context of smoking.
Used in Pharmaceutical Industry:
4-(PYRID-3-YL)-4-OXO-BUTYRIC ACID HYDROCHLORIDE is used as a key compound in the development of pharmaceuticals targeting nicotine addiction and related health issues.
Used in Analytical Chemistry:
4-(PYRID-3-YL)-4-OXO-BUTYRIC ACID HYDROCHLORIDE is used as a reference material in analytical chemistry for the identification and quantification of nicotine metabolites in biological samples, such as urine.

Check Digit Verification of cas no

The CAS Registry Mumber 4192-31-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,1,9 and 2 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 4192-31:
(6*4)+(5*1)+(4*9)+(3*2)+(2*3)+(1*1)=78
78 % 10 = 8
So 4192-31-8 is a valid CAS Registry Number.

4192-31-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-oxo-4-(pyridin-3-yl)butanoic acid

1.2 Other means of identification

Product number -
Other names 3-succinoylpyridine

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:4192-31-8 SDS

4192-31-8Relevant articles and documents

Method for preparing bioactive (S)-(-)-nicotine

-

Paragraph 0065-0067; 0072-0074; 0079-0081; 0086-0089; ..., (2021/07/17)

The invention relates to the field of organic synthesis, and discloses a method for preparing bioactive (S)-(-)-nicotine. The method comprises the steps of carrying out first reaction on methyl nicotinate and tert-butyl succinic acid diester, and then carrying out second reaction; and carrying out contact reaction on the system after the second reaction and an acidic material to obtain 4-oxo-4-(3-pyridyl) butyric acid; carrying out asymmetric reduction reaction on 4-oxo-4-(3-pyridyl) butyric acid and (R)-(+)-2-methyl-CBS-oxazoborane to obtain 5-(3-pyridyl) dihydrofuran-2 (3H)-ketone; carrying out third reaction on the 5-(3-pyridyl) dihydrofuran-2 (3H)-ketone and methylamine hydrobromide to obtain 1-methyl-5-(3-pyridyl)-2-pyrrolidone; and carrying out fourth reaction on the 1-methyl-5-(3-pyridyl)-2-pyrrolidone and a reducing agent to obtain the bioactive (S)-(-)-nicotine. According to the method, the bioactive body (S)-(-)-nicotine can be obtained with high yield and high purity.

Preparation method of artificially synthesized nicotine

-

Paragraph 0025-0029; 0034, (2019/10/04)

The invention discloses a preparation method of artificially synthesized nicotine, and belongs to the technical field of chemical synthesis. According to the synthesis method of a racemate (+/-)-(R,S)-nicotine and a natural optical active enantiomer (-)-(S)-nicotine, nicotinate and diester of succinic acid (or N-alkyl succinimide) are taken as the primary raw materials; and defects of a conventional nicotine synthesis technology such as difficulty for massive production, high cost, and the like, are overcome. Specifically, the provided synthesis method has the advantages that the primary raw materials are easily available, the preparation technology is simple, the cost is low, the prepared nicotine does not contain any other harmful tobacco compound, and the preparation method is suitable for industrial large-scale production.

Evaluation of Nitrosamide Formation in the Cytochrome P450-Mediated Metabolism of Tobacco-Specific Nitrosamines

Carlson, Erik S.,Upadhyaya, Pramod,Hecht, Stephen S.

, p. 2194 - 2205 (2016/12/26)

N′-Nitrosonornicotine (NNN) and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) are carcinogenic tobacco-specific nitrosamines believed to play a vital role in the initiation of tobacco-related cancers. For their carcinogenicities to be exhibited, both NNN and NNK must be metabolically activated by cytochrome P450s, specifically P450 2A6 and P450 2A13, respectively. Prior research has focused on α-hydroxylation, which leads to the formation of several DNA adducts that have been identified and quantified in vivo. However, some studies indicate that P450s can retain substrates within their active sites and perform processive oxidation. For nitrosamines, this would oxidize the highly unstable α-hydroxynitrosamines to potentially more stable nitrosamides, which could also alkylate DNA. Thus, we hypothesized that both NNN and NNK are processively oxidized in vitro to nitrosamides by P450 2A6 and P450 2A13, respectively. To test this hypothesis, we synthesized the NNN- and NNK-derived nitrosamides, determined their half-lives at pH 7.4 and 37 °C, and monitored for nitrosamide formation in an in vitro P450 system with product analysis by LC/NSI+-HRMS/MS. Half-lives of the nitrosamides were determined by HPLC-UV and ranged from 7-35 min, which is more than 40 times longer than the corresponding α-hydroxynitrosamines. Incubation of NNN in the P450 2A6 system resulted in the formation of the nitrosamide N′-nitrosonorcotinine (NNC) at low levels. Similarly, the nitrosamide 4-(methylnitrosamino)-1-(3-pyridyl)-1,4-butanedione (CH2-oxo-NNK) was detected in low amounts in the incubation of NNK with the P450 2A13 system. The other possible NNK-derived nitrosamide, 4-(nitrosoformamido)-1-(3-pyridyl)-1-butanone (CH3-oxo-NNK), was not observed in the P450 2A13 reactions. CH2-oxo-NNK readily formed O6meGua in reactions with dGuo and calf thymus DNA. These results demonstrate that NNC and CH2-oxo-NNK are novel metabolites of NNN and NNK, respectively. Though low-forming, their increased stability may allow for mutagenic DNA damage in vivo. More broadly, this study provides the first account of a cytochrome P450-mediated conversion of nitrosamines to nitrosamides, which warrants further studies to determine how general this phenomenon is in nitrosamine metabolism.

Chemoenzymatic and yeast-catalysed synthesis of diastereomeric ethyl γ-phenyl and γ-(n-pyridyl)paraconates

Forzato, Cristina,Furlan, Giada,Nitti, Patrizia,Pitacco, Giuliana,Valentin, Ennio,Zangrando, Ennio,Buzzini, Pietro,Goretti, Marta,Turchetti, Benedetta

, p. 2026 - 2036 (2008/12/23)

The synthesis of γ-phenyl and γ-(n-pyridyl)paraconates was accomplished by chemical reduction of their respective ketodiester precursors followed by cyclisation of the resulting hydroxy diester intermediates. The cis- and trans-lactones thus obtained were separated and separately subjected to enzymatic hydrolysis with HLAP. The cis-lactonic esters had enantiomeric excesses ranging from 94% to 99%, while for the trans-isomers the ee's ranged from 80% to 93%. The same ketodiester precursors were subjected to reduction with a series of yeasts. The absolute configuration of trans-(-)-2-pyridyl paraconic acid was assigned by means of X-ray analysis of its hydrobromide salt, while the absolute configurations of the other lactones were determined via analysis of their respective CD curves.

Derivatives of 4-hydroxybutanoic acid and of its higher homologue as ligands of γ(g)-hydroxybutyrate (ghb) receptors, pharmaceutical compositions containing same and pharmaceutical uses

-

Page/Page column 8, (2010/02/11)

The invention concerns the field of synthesis organic chemistry applied to the pharmaceutical field and concerns novel derivatives of 4-hydroxybutanoic acid and its higher homologue, 5-hydroxypentanoic acid, their crotonic homologues, pharmaceutical compo

Compound having effect of promoting neuron differentiation

-

, (2008/06/13)

A novel cystacycline derivative which has an excellent effect of promoting the differentiation of neurons and is useful as a remedy for central nervous system disorders, a remedy for peripheral nerve disorders, etc.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 4192-31-8