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

HCID 4881CAS 149017-66-3

基本情報

標準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
分子式: C14H14N3O12PS2
平均分子量: 511.4 g/mol

概要

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.

名称と識別子

優先名称: 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
英語名: Ppads tetrasodium salt
分子式: C14H14N3O12PS2
分子量: 511.38

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: -1.5
極性表面積: 267 Å²
水素結合供与体数: 5
水素結合受容体数: 15
回転可能結合数: 8
重原子数: 32
形式電荷: 0
複雑度: 956

物理化学的性質

貯蔵温度: 20 °C · −20°C
溶解性: 2 O: · H2O: >10 mg/mL
外見: 個体
色: 赤からオレンジ

安全と法規制

安全データ

wgk: 3
safety_code: 22-24/25

化学と産業

サプライヤー13 社

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]

補足説明

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