PPADS Tetrasodium - Moligand™, ≥95% , Antagonist of P2X4;Antagonist of P2Y 13 receptor;Antagonist of P2Y 1 receptor;Antagonist of P2Y 4 receptor;Antagonist of P2Y 6 receptor, CAS No.149017-66-3, Antagonist of P2X4;Antagonist of P2Y 13 receptor;Antagonist of P2Y 1 receptor;Antagonist of P2Y 4 receptor;Antagonist of P2Y 6 receptor

CAS: 149017-66-3 Cat. No.: P274692 分子式: C₁₄H₁₀N₃Na₄O₁₂PS₂·6H₂O 分子量: 707.39 PubChem CID: 4881

グレード＆純度 Moligand™, ≥95%

Synonyms

GTPL1725 | 4-((4-Formyl-5-hydroxy-6-methyl-3-((phosphonooxy)methyl)-2-pyridinyl)azo)-1,3-benzenedisulfonic acid | 1,3-Benzenedisulfonic acid, 4-((4-formyl-5-hydroxy-6-methyl-3-((phosphonooxy)methyl)-2-pyridinyl)azo)- | NSC_6093163 | CAS_149017-66-3 | Q712

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

概要

Application：

PPADS Tetrasodium is an non-selective purinergic antagonists of P2 ATP receptors. PPADS Tetrasodium is also a potential neuroprotective agents for the treatment of autoimmune and demyelinating disease.

仕様

同義語

GTPL1725 | 4-((4-Formyl-5-hydroxy-6-methyl-3-((phosphonooxy)methyl)-2-pyridinyl)azo)-1,3-benzenedisulfonic acid | 1,3-Benzenedisulfonic acid, 4-((4-formyl-5-hydroxy-6-methyl-3-((phosphonooxy)methyl)-2-pyridinyl)azo)- | NSC_6093163 | CAS_149017-66-3 | Q712

仕様と純度

Moligand™, ≥95%

生化学的・生理学的メカニズム

P2 purinergic receptor antagonist.

保管条件

Store at -20°C,Argon charged,Desiccated

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

ANTAGONIST

作用メカニズム

Antagonist of P2X4;Antagonist of P2Y 13 receptor;Antagonist of P2Y 1 receptor;Antagonist of P2Y 4 receptor;Antagonist of P2Y 6 receptor

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one week. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥95%

名前と識別子

パブケム・シド

488179864

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488179864

カノニカル・スマイル

CC1=C(C(=C(C(=N1)N=NC2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)COP(=O)(O)O)C=O)O

IUPAC Name

4-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acid

InChIKey

PNFZSRRRZNXSMF-UHFFFAOYSA-N

INCHI

1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-3-2-8(31(23,24)25)4-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)

異性体SMILES

CC1=C(C(=C(C(=N1)N=NC2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)COP(=O)(O)O)C=O)O

代替CAS番号

192575-19-2

PubChem CID

4881

分子量

707.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyridines and derivatives
      • Subclass Pyridine carboxaldehydes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyridines and derivatives
• Subclass: Pyridine carboxaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridoxals and derivatives
• Alternative Parents: Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Aryl-aldehydes Hydroxypyridines Methylpyridines Monoalkyl phosphates Vinylogous acids Heteroaromatic compounds Sulfonyls Organosulfonic acids Azo compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridoxal - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Methylpyridine - Hydroxypyridine - Aryl-aldehyde - Monoalkyl phosphate - Monocyclic benzene moiety - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Heteroaromatic compound - Vinylogous acid - Azo compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyridoxals and derivatives. These are compounds containing a pyridoxal moiety, which consists of a pyridine ring substituted at positions 2,3,4, and 5 by a methyl group, a hydroxyl group, a carbaldehyde group, and a hydroxymethyl group, respectively.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

関連ターゲット（人間）

P2RX4 Tchem P2X purinoceptor 4 (0 Activities)

Discover Target: P2RX4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

P2RY1 Tchem P2Y purinoceptor 1 (1 Activities)

Discover Target: P2RY1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

P2RY6 Tchem P2Y purinoceptor 6 (1 Activities)

Discover Target: P2RY6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

P2RY13 Tchem P2Y purinoceptor 13 (1 Activities)

Discover Target: P2RY13

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

P2RY4 Tchem P2Y purinoceptor 4 (0 Activities)

Discover Target: P2RY4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

化学的性質と物理的性質

• 溶解度: Soluble in water to 100 mM
• 感度: Moisture sensitive.
• 分子量: 511.400 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 510.976 Da
• Monoisotopic Mass: 510.976 Da
• Topological Polar Surface Area: 267.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 956.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1