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Pyridoxal 5'-phosphate monohydrate

HCID 38882
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
41468-25-1
표준 SMILES
Cc1ncc(COP(=O)(O)O)c(C=O)c1O.O
InChIKey
CEEQUQSGVRRXQI-UHFFFAOYSA-N
분자식
C8H12NO7P
평균 분자량
265.16 g/mol
단동위원소 질량
265.03513872

이름 및 식별자

우선 이름
Pyridoxal 5'-phosphate monohydrate
IUPAC
(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate;hydrate
영어명
Pyridoxal 5'-phosphate monohydrate
분자식
C8H12NO7P
분자량
265.16

이름 및 동의어

Pyridoxal 5'-phosphate monohydrateDTXSID7046594DTXCID50265944-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-, monohydrate4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-, monohydrateRefChem:8709004-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-(phosphonooxy)methyl-, monohydrate41468-25-1Pyridoxal phosphate hydrate(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate hydratePyridoxal 5'-phosphate hydratePyridoxal-5-phosphate Monohydrate
이름 더 보기
PLPPyridoxal 5'-phosphatePYRIDOXAL 5-PHOSPHATE MONOHYDRATEPYRIDOXAL PHOSPHATE MONOHYDRATEpCaspIEX-1pCDNA3.45-Phosphate MonohydratePyridoxal 5-phosphate monohydrate(PLP)
PYRIDOXAL-5'-PHOSPHATE MONOHYDRATEMFCD00149414(4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate hydrate(1:x)C8H12NO7PPyridoxal phosphate (hydrate)Pyridoxal phosphate (monohydrate)Pyridoxal phosphate [JAN]Pyridoxal 5'-phosphate (hydrate)

데이터베이스 식별자

CAS
41468-25-1
PubChem CID
38882
DTXSID
DTXSID7046594
ChEBI
CHEBI:192625
UNII
5V5IOJ8338
EC Number
609-929-1

물성

구조 계산 물성

극성 표면적
118 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
8
회전 가능 결합 수
4
무거운 원자 수
17
형식 전하
0
복잡도
292

물리화학적 성질

녹는점
140 · 140-143 °C(lit.)
저장 조건
2 · 2-8°C
용해도
아세토니트릴(약간), DMSO(약간)에 용해됨
물리적 상태
결정성 분말
색상
옅은 노랑
생물학적 소스
synthetic
수용성
5 g/L · 5g/L(20℃)
Merck
14 · 14,7979
BRN
234749 · 234749
안정성
공기 민감성, 수분 민감성
주요 응용
세포 분석
InChI
InChI=1S/C8H10NO6P.H2O/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14;/h2-3,11H,4H2,1H3,(H2,12,13,14);1H2
InChIKey
CEEQUQSGVRRXQI-UHFFFAOYSA-N
SMILES
C1(COP(=O)(O)O)=CN=C(C)C(O)=C1C=O.O
화학적 성질 · 1건

Pyridoxal Phosphate Hydrate occurs as a pale yellow-white to light yellow crystalline powder.It is slightly soluble in water, and practically insoluble in ethanol (99.5).It dissolves in dilute hydrochloric acid and in sodium hydroxide TS.The pH of a solution prepared by dissolving 0.1 g of Pyridoxal Phosphate Hydrate in 200 mL of water is between 3.0 and 3.5.Pyridoxal Phosphate Hydrate is colored to light red by light.

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified;Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 2 of 2 reports by companies.;There are 0 notifications provided by 0 of 2 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 2건

Chemical: 4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-, monohydrate

4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-(phosphonooxy)methyl-, monohydrate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

규제 정보

Regulatory Information · 2건

Chemical: 4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-, monohydrate

4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-(phosphonooxy)methyl-, monohydrate: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
2
tsca
Yes
rtecs
UV1208000
HS 번호
29333990
risk_code
36/37/38
hazard_code
Xi
safety_code
24/25-36-26
F 고인화성물질
8-10-23
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

Mechanism of Action · 1건

MC-1 is a biologically active natural product which can be regarded as a chemical entity that has been evolutionarily selected and validated for binding to particular protein domains. Thus, its underlying structural architecture, or scaffold, has already been biologically established as safe and active, providing a powerful guiding principle for novel drug and library development.

응용 분야 · 3건

용도Pyridoxal 5-phosphate (PLP) (active form of Vitamin B6) is an enzyme prosthetic group that acts as a coenzyme in transamination, decarboxylation and deamination reactions such as the conversion of dopa into dopamine; of glutamate into GABA; of histidine to histamine. PLP works mechanistically through formation of a Schiff-base.

용도Pyridoxal 5'-phosphate monohydrate is a water-soluble form of Pyridoxal 5′-phosphate (PLP), which can be used to synthesise the drug MC-1, a cardioprotective agent designed to reduce damage to the heart when arteries are blocked and subsequently reopened after bypass surgery. It is also widely used to cure the Parkinson's disease clinically.

일반 설명Pyridoxal 5'-phosphate (PLP, vitamin B6) is an essential cofactor in all living systems. It is one of the most versatile cofactors and participates in transamination, decarboxylation, racemization, Cα-Cβ cleavage and α-β elimination reactions. PLP plays an important role in amino acid and carbohydrate metabolism and has been implicated in singlet oxygen resistance. PLP can be used as a dietary supplement in cases of vitamin B6 deficiency. Reduced levels of PLP in the brain can cause neurological dysfunction. By inhibiting AGE formation and working as a coenzyme in chemical reactions, pyridoxal 5’-phosphate can support healthy nerve, eye, cardiovascular and kidney function.

상·하류 제품 정보

하류 제품

DL-트립토판

공급사100 곳

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