PSB-0963 - Moligand™ , Inhibitor of Ecto-5'-Nucleotidase;Inhibitor of ectonucleoside triphosphate diphosphohydrolase 1, CAS No.P612981, Inhibitor of Ecto-5'-Nucleotidase;Inhibitor of ectonucleoside triphosphate diphosphohydrolase 1

CAS: P612981 Cat. No.: P612981 PubChem CID: 91934096

グレード＆純度 Moligand™

Storage

Room temperature

仕様

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Inhibitor of Ecto-5'-Nucleotidase;Inhibitor of ectonucleoside triphosphate diphosphohydrolase 1

名前と識別子

カノニカル・スマイル

O=C1c2ccccc2C(=O)c2c1c(N)c(cc2Nc1ccc2c(c1)cc1c(c2)cccc1)S(=O)(=O)[O-]

IUPAC Name

1-amino-4-(anthracen-2-ylamino)-9,10-dioxoanthracene-2-sulfonate

InChIKey

JXFRJOYKTCEJDG-UHFFFAOYSA-M

INCHI

1S/C28H18N2O5S/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)21-8-4-3-7-20(21)27(24)31)30-19-10-9-17-11-15-5-1-2-6-16(15)12-18(17)13-19/h1-14,30H,29H2,(H,33,34,35)/p-1

異性体SMILES

C1=CC=C2C=C3C=C(C=CC3=CC2=C1)NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)[O-]

PubChem CID

91934096

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: 1-sulfo,2-unsubstituted aromatic compounds Aryl ketones Primary aromatic amines Vinylogous amides Sulfonyls Organosulfonic acids Secondary amines Organic oxides Hydrocarbon derivatives Organic anions
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aryl ketone - Primary aromatic amine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Vinylogous amide - Ketone - Secondary amine - Amine - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic anion - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• 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）

ENTPD1 Tchem Ectonucleoside triphosphate diphosphohydrolase 1 (1 Activities)

Discover Target: ENTPD1

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

NT5E Tchem 5'-nucleotidase (1 Activities)

Discover Target: NT5E

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

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 P612981. InChIKey JXFRJOYKTCEJDG-UHFFFAOYSA-M.

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.