피리독살

Pyridoxal

HCID 1050CAS 66-72-8

기본 정보

표준 SMILES
Cc1ncc(CO)c(C=O)c1O
InChIKey
RADKZDMFGJYCBB-UHFFFAOYSA-N
분자식
C8H9NO3
평균 분자량
167.16 g/mol
단동위원소 질량
167.05824315

개요

Pyridoxal is a pyridinecarbaldehyde that is pyridine-4-carbaldehyde bearing methyl, hydroxy and hydroxymethyl substituents at positions 2, 3 and 5 respectively. The 4-carboxyaldehyde form of vitamin B6, it is converted into pyridoxal phosphate, a coenzyme for the synthesis of amino acids, neurotransmitters, sphingolipids and aminolevulinic acid. It has a role as a cofactor, a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is a member of methylpyridines, a vitamin B6, a monohydroxypyridine, a pyridinecarbaldehyde and a hydroxymethylpyridine. It is a conjugate base of a pyridoxal(1+).

이름 및 식별자

우선 이름
Pyridoxal
IUPAC
3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde
현지명
피리독살
영어명
pyridoxal
분자식
C8H9NO3
분자량
167.16

이름 및 동의어

pyridoxal66-72-8Pyridoxaldehyde3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehydePiridoxalDTXSID40460204-Pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl-CHEBI:173103THM379K8A3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde3-Hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxaldehyde
이름 더 보기
피리독살PYRIDOXALEPyridoxal Labeled d3Metazachlor Impurity 8(Triflumizole)3-hydroxy-2-methyl-5-methylol-isonicotinaldehyde3-Hydroxy-5-hydroxymethyl-2-methylpyridine-4-carbaldehyde3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarbaldehyde3-(Hydroxymethyl)-5-hydroxy-6-methylpyridine-4-carbaldehyde
DTXCID20260202-methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridineRefChem:177705200-630-8MFCD00464806EINECS 200-630-8NSC 196133-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde

데이터베이스 식별자

CAS
66-72-8
PubChem CID
1050
DTXSID
DTXSID4046020
ChEMBL
CHEMBL102970
ChEBI
CHEBI:17310
UNII
3THM379K8A
EC Number
200-630-8
Nikkaji
J2.361B

물성

구조 계산 물성

XLogP
0
극성 표면적
70.4 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
12

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Vitamins and Derivatives
DrugsPharmaceuticals -> Listed in ZINC15
LogP-0.82
Solubility500.0 mg/mL
Melting Point165 °C
Vapor Pressure0.00000162 [mmHg]

물리화학적 성질

녹는점
165 °C · 165 °C
끓는 점
412.8 · 412.8±40.0 °C(Predicted)
밀도
1.36 · 1.360±0.06 g/cm3(Predicted)
저장 조건
2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태
Solid
산도 계수 (pKa)
4.2 · pKa 4.20 (H2O t = 25 I = 0.1)(Approximate)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazards SummaryCauses rigidity and convulsions in oral and intraperitoneal lethal-dose studies of mice; [RTECS] See Pyridoxine hydrochloride.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

기존화학 물질
KE-20560

화학 및 산업

약리 정보

Pharmacodynamics · 1건

Pyridoxal principally in the form of the coenzyme pyridoxal 5'-phosphate, is involved in a wide range of biochemical reactions, including the metabolism of amino acids and glycogen, the synthesis of nucleic acids, hemogloblin, sphingomyelin and other sphingolipids, and the synthesis of the neurotransmitters serotonin, dopamine, norepinephrine and gamma-aminobutyric acid (GABA).

Mechanism of Action · 1건

Pyridoxal is the precursor to pyridoxal phosphate. Pyridoxal 5'-phosphate is involved in a wide range of biochemical reactions, including the metabolism of amino acids and glycogen, the synthesis of nucleic acids, hemogloblin, sphingomyelin and other sphingolipids, and the synthesis of the neurotransmitters serotonin, dopamine, norepinephrine and gamma-aminobutyric acid (GABA).

MeSH Pharmacological ClassificationA group of water-soluble vitamins, some of which are COENZYMES.
Tissue LocationsErythrocyte
Cellular LocationsCytoplasm
Metabolite Pathways2-Methyl-3-Hydroxybutryl CoA Dehydrogenase Deficiency

용도 및 제조

UsesThe 4-carboxyaldehyde form of vitamin B6 that is converted to the coenzyme pyridoxal phosphate; [ChemIDplus]

공급사26 곳

毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]

추가 설명

정의ChEBI: A pyridinecarbaldehyde that is pyridine-5-carbaldehyde bearing methyl, hydroxy and hydroxymethyl substituents at positions 2, 3 and 4 respectively.

관련 반응

21건

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