3-하이드록시-DL-키누레닌

3-Hydroxykynurenine

HCID 89CAS 2147-61-7

기본 정보

표준 SMILES: Nc1c(O)cccc1C(=O)CC(N)C(=O)O
InChIKey: VCKPUUFAIGNJHC-UHFFFAOYSA-N
분자식: C10H12N2O4
평균 분자량: 224.21 g/mol
단동위원소 질량: 224.07970686

개요

3-hydroxykynurenine is a hydroxykynurenine that is kynurenine substituted by a hydroxy group at position 3. It has a role as a human metabolite.

이름 및 식별자

우선 이름: 3-Hydroxykynurenine
IUPAC: 2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
현지명: 3-하이드록시-DL-키누레닌
영어명: 3-Hydroxy-DL-kynurenine
분자식: C10H12N2O4
분자량: 224.21

이름 및 동의어

3-Hydroxykynurenine484-78-62-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic aciddl-3-Hydroxykynurenine3-(3-Hydroxyanthraniloyl)alanineALANINE, 3-(3-HYDROXYANTHRANILOYL)-Benzenebutanoic acid, alpha,2-diamino-3-hydroxy-gamma-oxo-NSC-96400CHEBI:154727723548JL4-(2-amino-3-hydroxyphenyl)-2-azaniumyl-4-oxobutanoatealpha,2-Diamino-3-hydroxy-gamma-oxobenzenebutanoic acid

이름 더 보기

3-하이드록시-DL-키누레닌NSC 96400-13C2,15NDL-3-HYDROXYKYUNRENINEHYDROXY-DL-KYNURENINE, 3-Hydroxykynurenine-13C2,15N3-Hydroxykynurenine-13C2,15N3-Hydroxy-DL-kynurenine 3-Hydroxy-DL-kynurenine-13C2,15N

RefChem:943333-Hydroxy-dl-kynurenine2147-61-7HydroxykynurenineKynurenine, 3-hydroxy-Kynurenine, 3-hydroxy (R,S)MFCD00047832rac 3-Hydroxy Kynurenine Hydrochloride Salt

데이터베이스 식별자

CAS: 2147-61-7、484-78-6
PubChem CID: 89
DTXSID: DTXSID00862009
ChEMBL: CHEMBL442576
ChEBI: CHEBI:1547
UNII: 27723548JL
EC Number: 633-645-7
Nikkaji: J16.831I

물성

구조 계산 물성

XLogP: -2.5
극성 표면적: 127 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 282

실험 및 물리화학적 성질

Melting Point217 °C

Physical DescriptionSolid

Collision Cross Section160.83 Å² [M+Na]+ [CCS Type: DT; Method: stepped-field]

물리화학적 성질

녹는점: 195 °C · >195°C (dec.)
저장 조건: 2 · 2-8°C
용해도: DMSO(약간 용해됨, 가열), 메탄올(약간 용해됨, 가열), 물(약간 용해됨, 가열, 초음파 처리)
물리적 상태: 고체
색상: 밝은 노란색에서 노란색까지
안정성: 흡습성

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

화학 및 산업

약리 정보

Tissue LocationsBrain

Cellular LocationsCytoplasm

응용 분야

용도Labelled analogue of 3-Hydroxykynurenine is a metabolite of tryptophan. s generator and a potential endogenous neurotoxin.

공급사27 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Syntechem Co.,Ltd[email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

연결된 노트

불러오는 중…