Pyridoxamine

HCID 1052CAS 85-87-0
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1ncc(CO)c(CN)c1O
InChIKey
NHZMQXZHNVQTQA-UHFFFAOYSA-N
분자식
C8H12N2O2
평균 분자량
168.19 g/mol
단동위원소 질량
168.08987763

이름 및 식별자

우선 이름
Pyridoxamine
IUPAC
4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
영어명
pyridoxamine
분자식
C8H12N2O2
분자량
168.19

이름 및 동의어

pyridoxamine85-87-0Pyridoxylamine4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL3-Pyridinemethanol, 4-(aminomethyl)-5-hydroxy-6-methyl-CHEBI:16410DTXSID60469296466NM3W93RefChem:177725DTXCID40269294-(azaniumylmethyl)-5-(hydroxymethyl)-2-methylpyridin-3-olate201-640-5
이름 더 보기
PyridorinPyridoxaMine-d4pyridoxamine USP/EP/BPPyridoxylamine, 10 mM in DMSO4-(aminomethyl)-2-methyl-5-methylol-pyridin-3-ol4-Aminomethyl-5-hydroxy-6-methyl-3-pyridinemethanolinhibit,Inhibitor,Pyridoxylamine,Endogenous Metabolite4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-pyridin-3-ol
4-(Aminomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinolEINECS 201-640-5MFCD00464815NCIStruc1_000457NCIStruc2_000537Oprea1_400404CBDivE_013510NCI21278

데이터베이스 식별자

CAS
85-87-0
PubChem CID
1052
DTXSID
DTXSID6046929
ChEMBL
CHEMBL593019
ChEBI
CHEBI:16410
UNII
6466NM3W93
EC Number
201-640-5
Nikkaji
J3.891A

물성

구조 계산 물성

XLogP
-1
극성 표면적
79.4 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
12

실험 및 물리화학적 성질

Solubility815 mg/mL
Physical DescriptionSolid
Ionization Efficiency · 6건

Positive

2.96

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Dissociation Constants10.34
Kovats Retention Index2000
Collision Cross Section · 5건

140.12 Ų [M-H]- [CCS Type: DT; Method: stepped-field]；135.79 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]；148.49 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]

144.1 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；133.9 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；133.7 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

134 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

130 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine]

134.4 Ų [M+H]+；145.7 Ų [M+Na]+；136.4 Ų [M-H]-

물리화학적 성질

녹는점
193 · 193-193.5 °C
끓는 점
460.1 · 460.1±40.0 °C(Predicted)
밀도
1.282 · 1.282±0.06 g/cm3(Predicted)
저장 조건
Hygroscopic, Refrigerator, under inert atmosphere
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체

안전 및 규제

유해성 정보

Regulatory InformationChemical: 3-Pyridinemethanol, 4-(aminomethyl)-5-hydroxy-6-methyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

규제 정보

Regulatory InformationChemical: 3-Pyridinemethanol, 4-(aminomethyl)-5-hydroxy-6-methyl-

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationA group of water-soluble vitamins, some of which are COENZYMES.
Tissue LocationsPlacenta；Prostate
Cellular LocationsExtracellular
Metabolite PathwaysHypophosphatasia；Vitamin B6 Metabolism

상·하류 제품 정보

공급사48 곳

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

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