INS48823 - Moligand™ , Agonist of P2Y 6 receptor, CAS No.I611095, Agonist of P2Y 6 receptor

CAS: I611095 Cat. No.: I611095 PubChem CID: 44457307

GRADE & PURITY Moligand™

Synonyms

INS 48823;INS-48823

Storage

Room temperature

Specifications

同義語

INS 48823;INS-48823

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

AGONIST

作用メカニズム

Agonist of P2Y 6 receptor

名前と識別子

• カノニカル・スマイル: O=c1ccn(c(=O)[nH]1)[C@@H]1O[C@@H]([C@@H]2[C@H]1OC(O2)Cc1ccccc1)COP(=O)(OP(=O)(OP(=O)(OC[C@@H]1O[C@@H]([C@H]([C@H]1O)O)n1ccc(=O)[nH]c1=O)O)O)O
• IUPAC Name: {[(3aR,4R,6R,6aR)-2-benzyl-6-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methoxy}({[({[(2S,3R,4S,5S)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid
• InChIKey: FIZCPSOYGRAJHH-LAJHJGSGSA-N
• INCHI: 1S/C26H31N4O20P3/c31-16-6-8-29(25(35)27-16)23-20(34)19(33)14(45-23)11-43-51(37,38)49-53(41,42)50-52(39,40)44-12-15-21-22(24(46-15)30-9-7-17(32)28-26(30)36)48-18(47-21)10-13-4-2-1-3-5-13/h1-9,14-15,18-24,33-34H,10-12H2,(H,37,38)(H,39,40)(H,41,42)(H,27,31,35)(H,28,32,36)/t14-,15+,18?,19-,20-,21+,22+,23-,24+/m0/s1
• 異性体SMILES: C1=CC=C(C=C1)CC2O[C@@H]3[C@H](O[C@H]([C@@H]3O2)N4C=CC(=O)NC4=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]5[C@@H]([C@@H]([C@H](O5)N6C=CC(=O)NC6=O)O)O
• PubChem CID: 44457307

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • 分類 (5'->5')-dinucleotides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• 分類: (5'->5')-dinucleotides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: (5'->5')-dinucleotides
• Alternative Parents: Pyrimidine ribonucleoside triphosphates Pentose phosphates Glycosylamines Monosaccharide phosphates Pyrimidones Monoalkyl phosphates Benzene and substituted derivatives Hydropyrimidines 1,3-dioxolanes Oxolanes Vinylogous amides Heteroaromatic compounds Secondary alcohols Ureas Lactams 1,2-diols Oxacyclic compounds Acetals Azacyclic compounds Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: (5'->5')-dinucleotide - Pyrimidine ribonucleoside triphosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Pyrimidone - Monoalkyl phosphate - Monocyclic benzene moiety - Hydropyrimidine - Monosaccharide - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Benzenoid - Vinylogous amide - Meta-dioxolane - Heteroaromatic compound - Oxolane - Urea - Secondary alcohol - 1,2-diol - Lactam - Acetal - Organoheterocyclic compound - Azacycle - Oxacycle - Alcohol - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as (5'->5')-dinucleotides. These are dinucleotides where the two bases are connected via a (5'->5')-phosphodiester linkage.
• 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）

P2RY6 Tchem P2Y purinoceptor 6 (1 Activities)

Discover Target: P2RY6

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

P2RY12 Tclin Purinergic receptor P2Y12 (2369 Activities)

Discover Target: P2RY12

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

P2RY6 Tchem Pyrimidinergic receptor P2Y6 (717 Activities)

Discover Target: P2RY6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

P2RY1 Tchem Purinergic receptor P2Y1 (1327 Activities)

Discover Target: P2RY1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

よくある質問

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is I611095. InChIKey FIZCPSOYGRAJHH-LAJHJGSGSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.