4-(2-(4-Formyl-5-hydroxy-6-methyl-3-((phosphonooxy)methyl)-2-pyridinyl)diazenyl)-1,3-benzenedisulfonic acid

HCID 4881CAS 149017-66-3
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기본 정보

표준 SMILES
Cc1nc(N=Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c(COP(=O)(O)O)c(C=O)c1O
InChIKey
PNFZSRRRZNXSMF-UHFFFAOYSA-N
분자식
C14H14N3O12PS2
평균 분자량
511.4 g/mol

개요

5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid is an arenesulfonic acid that is pyridoxal 5'-phosphate carrying an additional 2,4-disulfophenylazo substituent at position 6. It has a role as a purinergic receptor P2X antagonist. It is a member of azobenzenes, a member of methylpyridines, an organic phosphate, an arenesulfonic acid, a monohydroxypyridine and a pyridinecarbaldehyde. It is functionally related to a pyridoxal 5'-phosphate. It is a conjugate acid of a 5'-phosphonatopyridoxal-6-azobenzene-2,4-disulfonate.

이름 및 식별자

우선 이름
4-(2-(4-Formyl-5-hydroxy-6-methyl-3-((phosphonooxy)methyl)-2-pyridinyl)diazenyl)-1,3-benzenedisulfonic acid
IUPAC
4-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonooxymethyl)-2-pyridinyl]diazenyl]benzene-1,3-disulfonic acid
영어명
Ppads tetrasodium salt
분자식
C14H14N3O12PS2
분자량
511.38

이름 및 동의어

149017-66-34-[2-[4-Formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]-2-pyridinyl]diazenyl]-1,3-benzenedisulfonic acid4-(2-(4-FORMYL-5-HYDROXY-6-METHYL-3-((PHOSPHONOOXY)METHYL)-2-PYRIDINYL)DIAZENYL)-1,3-BENZENEDISULFONIC ACIDRefChem:1069779ppadsPyridoxal phosphate-6-azophenyl-2',4'-disulfonic acidL6K2LJ9BJKCHEMBL69234CHEBI:349414-((4-Formyl-5-hydroxy-6-methyl-3-((phosphonooxy)methyl)-2-pyridinyl)azo)-1,3-benzenedisulfonic acid4-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acid5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid
이름 더 보기
C13745PPADS tetrasodium saPpads tetrasodium saltPPADS Tetrasodium Salt（149017-66-3）PPADS, P2 purinergic receptor antagonistpyridoxalphosphate-6-azophenyl-2’,4’-disulfonicacidPYRIDOXALPHOSPHATE-6-AZOPHENYL-2',4'-DISULPHONIC ACID 4NAPYRIDOXAL-PHOSPHATE-6-AZOPHENYL-2',4'-DISULPHONIC ACID TETRASODIUM
4-[(E)-[4-methanoyl-6-methyl-5-oxidanyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acidUNII-L6K2LJ9BJKLopac0_000978GTPL1725orb2664424SCHEMBL5287746CHEMBL1437958CHEMBL3305983

데이터베이스 식별자

CAS
149017-66-3
PubChem CID
4881
DTXSID
DTXSID401019090
ChEMBL
CHEMBL1437958、CHEMBL3305983、CHEMBL69234
ChEBI
CHEBI:34941
UNII
L6K2LJ9BJK
Nikkaji
J508.318D

물성

구조 계산 물성

XLogP
-1.5
극성 표면적
267 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
15
회전 가능 결합 수
8
무거운 원자 수
32

물리화학적 성질

저장 조건
20 °C · −20°C
용해도
2 O: · H2O: >10 mg/mL
물리적 상태
고체
색상
빨간색에서 주황색으로

안전 및 규제

안전 데이터

wgk
3
safety_code
22-24/25

화학 및 산업

공급사13 곳

上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Ascent Scientific4401179829988 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]

추가 설명

정의ChEBI: An arenesulfonic acid that is pyridoxal 5'-phosphate carrying an additional 2,4-disulfophenylazo substituent at position 6.

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