Picolinic acid (HCID 1018)

概要

Picolinic acid is a pyridinemonocarboxylic acid in which the carboxy group is located at position 2. It is an intermediate in the metabolism of tryptophan. It has a role as a MALDI matrix material and a human metabolite. It is a conjugate acid of a picolinate.

名称と識別子

優先名称: Picolinic acid
IUPAC: pyridine-2-carboxylic acid
英語名: nikogamol
分子式: C6H5NO2
分子量: 123.1094

名称と別名

picolinic acid98-98-6Pyridine-2-carboxylic acid2-Pyridinecarboxylic acid2-Carboxypyridineo-Pyridinecarboxylic acidAcide picoliquealpha-Pyridinecarboxylic acid2-pyridine carboxylic acidDTXSID7031903QZV2W997JQDTXCID5011903

名称をさらに表示

nikogamol

CHEBI:28747RefChem:863115202-719-72-Picolinic acidalpha-Picolinic acidPYRIDINECARBOXYLIC ACIDPyridine-carboxylique-2MFCD00006293

データベース識別子

CAS: 32075-31-3、88161-53-9、98-98-6
PubChem CID: 1018
DTXSID: DTXSID7031903
ChEMBL: CHEMBL72628
ChEBI: CHEBI:28747
UNII: QZV2W997JQ
EC Number: 202-719-7
Nikkaji: J45.682I、J452.014I

物性

構造計算による物性

XLogP: 0.8
極性表面積: 50.2 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 114

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Pyridines

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials PropertiesChemical shift

LogP · 2 件

0.72

-1.0

Solubility · 2 件

960 mg/mL at 20 °C

>18.5 [ug/mL] (The mean of the results at pH 7.4)

Melting Point · 2 件

136.5 °C

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (93.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 179 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: 2-Pyridinecarboxylic acid

Status: Active Update: 03-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24100

2-Pyridinecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

Hazards SummaryAn eye irritant; [eChemPortal: ERMA] An irritant; [MSDSonline] See Pyridine.

Hazard Classes and CategoriesAcute Tox. 4 (93.9%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

1.2 [mg/m3]

13 [mg/m3]

78 [mg/m3]

化学と産業

薬理情報

Pharmacodynamics · 1 件

PCL-016 or Picolinic acid drug substance is a pyridine carboxylate metabolite of tryptophan. It acts as an anti-infective and immunomodulator through its role in zinc transport. ZFPs are involved in viral replication and packaging as well as normal cell homeostatic functions. Picolinic acid has been shown to be an anti-viral in vitro and in vivo.

Mechanism of ActionAs a therapeutic agent, the molecule works by binding to zinc finger proteins (ZFPs) in a way that changes their structures and disrupts zinc binding, inhibiting function.

MeSH Pharmacological Classification · 1 件

Organic chemicals that form two or more coordination links with an iron ion. Once coordination has occurred, the complex formed is called a chelate. The iron-binding porphyrin group of hemoglobin is an example of a metal chelate found in biological systems.

Tissue LocationsProstate

用途と製造

Uses · 2 件

Iron-chelating agent that inhibits DNA synthesis; may interfere with iron-dependent production of stable free organic radical which is essential for ribonucleotide reductase formation of deoxyribonucleotides. [ChemIDplus]

Synthetic Polymer MALDI Matrix Compounds

General Manufacturing Information2-Pyridinecarboxylic acid: ACTIVE