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 Formula: C₁₄H₁₀N₃Na₄O₁₂PS₂·6H₂O Molecular Weight: 707.39 PubChem CID: 4881

GRADE & PURITY 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

Overview

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.

Specifications

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

Specifications & Purity

Moligand™, ≥95%

Biochemical and Physiological Mechanisms

P2 purinergic receptor antagonist.

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

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

Note

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.

Purity

≥95%

Names and Identifiers

Pubchem Sid

488179864

Pubchem Sid Url

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

Canonical 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

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)

Isomeric 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

Alternate CAS

192575-19-2

PubChem CID

4881

Molecular Weight

707.39

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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)

Chemical and Physical Properties

• Solubility: Soluble in water to 100 mM
• Sensitivity: Moisture sensitive.
• Molecular Weight: 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