Picolinic acid (HCID 1018)

개요

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.

이름 및 식별자

우선 이름: Picolinic acid
IUPAC: pyridine-2-carboxylic acid
현지명: 니코가몰
영어명: nikogamol
분자식: C6H5NO2
분자량: 123.1094

이름 및 동의어

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

이름 더 보기

니코가몰nikogamol

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 50.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 114

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Pyridines

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials PropertiesChemical shift

LogP · 2건

0.72

-1.0

Solubility · 2건

960 mg/mL at 20 °C

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

Melting Point · 2건

136.5 °C

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 3건

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%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

1.2 [mg/m3]

13 [mg/m3]

78 [mg/m3]

화학 및 산업

약리 정보

Pharmacodynamics · 1건

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 · 1건

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

용도 및 제조

Uses · 2건

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