니코가몰
Picolinic acid
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기본 정보
- CAS
32075-31-3- 표준 SMILES
O=C(O)c1ccccn1- InChIKey
SIOXPEMLGUPBBT-UHFFFAOYSA-N- 분자식
- C6H5NO2
- 평균 분자량
- 123.11 g/mol
- 단동위원소 질량
- 123.0320284
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 물성보충 중
- XLogP
- 0.8
- 극성 표면적
- 50.2 Ų
- 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
0.72
-1.0
Solubility
960 mg/mL at 20 °C
>18.5 [ug/mL] (The mean of the results at pH 7.4)
Melting Point
136.5 °C
136.5 °C
Vapor Pressure0.00789 [mmHg]
Physical Description
White or off-white crystalline powder; [MSDSonline]
Solid
Dissociation Constants0.99
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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)
1.2 [mg/m3]
13 [mg/m3]
78 [mg/m3]
화학 및 산업
약리 정보
Pharmacodynamics
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
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
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
관련 반응
511건
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