OAADPR - Moligand™ , Activator of TRPM2, CAS No.O612449, Activator of TRPM2

CAS: O612449 Cat. No.: O612449 PubChem CID: 72193709

GRADE & PURITY Moligand™

Synonyms

2''-O-acetyl-ADP-D-ribose;2'-O-acetyl-ADP-ribose;AC1MMT9E;OAADPr

Storage

Room temperature

Specifications

Synonyms

2''-O-acetyl-ADP-D-ribose;2'-O-acetyl-ADP-ribose;AC1MMT9E;OAADPr

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ACTIVATOR

Mechanism of action

Activator of TRPM2

Names and Identifiers

• Canonical Smiles: CC(=O)O[C@H]1C(O)O[C@@H]([C@H]1O)COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O
• IUPAC Name: [(3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-2,4-dihydroxyoxolan-3-yl] acetate
• InChIKey: BFNOPXRXIQJDHO-YDKGJHSESA-N
• INCHI: 1S/C17H25N5O15P2/c1-6(23)34-13-11(25)8(36-17(13)27)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8-,10-,11-,12-,13-,16-,17?/m1/s1
• Isomeric SMILES: CC(=O)O[C@@H]1[C@@H]([C@H](OC1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)O
• PubChem CID: 72193709

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Purine nucleotides
      • Subclass Purine nucleotide sugars

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Purine nucleotides
• Subclass: Purine nucleotide sugars
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine nucleotide sugars
• Alternative Parents: Purine ribonucleoside diphosphates Purine ribonucleoside monophosphates Pentose phosphates Glycosylamines Monosaccharide phosphates Organic pyrophosphates 6-aminopurines Aminopyrimidines and derivatives Monoalkyl phosphates N-substituted imidazoles Imidolactams Heteroaromatic compounds Tetrahydrofurans Hemiacetals Carboxylic acid esters Amino acids and derivatives Secondary alcohols Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Primary amines Organic oxides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine nucleotide sugar - Purine ribonucleoside diphosphate - Purine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Organic pyrophosphate - Monosaccharide phosphate - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - Monoalkyl phosphate - Organic phosphoric acid derivative - N-substituted imidazole - Monosaccharide - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Imidolactam - Imidazole - Tetrahydrofuran - Azole - Heteroaromatic compound - Amino acid or derivatives - Secondary alcohol - Carboxylic acid ester - Hemiacetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Primary amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as purine nucleotide sugars. These are purine nucleotides bound to a saccharide derivative through the terminal phosphate group.
• External Descriptors: nucleotide-sugar

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)

TRPM2 Tchem Transient receptor potential cation channel subfamily M member 2 (1 Activities)

Discover Target: TRPM2

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