[3,4-bis(dihydroxyphosphinothioyloxy)-2,5,6-trihydroxycyclohexyl] dihydrogen phosphate - Moligand™ , Inhibitor of INPP5A, CAS No.B609340, Inhibitor of INPP5A

CAS: B609340 Cat. No.: B609340 PubChem CID: 15931446

GRADE & PURITY Moligand™

Synonyms

myo-inositol 1-phosphate 4,5-bisphosphorothioate | compound 5

Storage

Room temperature

Specifications

Synonyms

myo-inositol 1-phosphate 4, 5-bisphosphorothioate | compound 5

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of INPP5A

Names and Identifiers

• Canonical Smiles: OC1C(OP(=S)(O)O)C(OP(=S)(O)O)C(C(C1O)OP(=O)(O)O)O
• IUPAC Name: [3,4-bis(dihydroxyphosphinothioyloxy)-2,5,6-trihydroxycyclohexyl] dihydrogen phosphate
• InChIKey: OEKHZIJBKVQWQC-UHFFFAOYSA-N
• INCHI: 1S/C6H15O13P3S2/c7-1-2(8)5(18-21(13,14)23)6(19-22(15,16)24)3(9)4(1)17-20(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,23)(H2,15,16,24)
• Isomeric SMILES: C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=S)(O)O)OP(=S)(O)O)O)O
• PubChem CID: 15931446

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Cyclic alcohols and derivatives
          • Level6 Cyclitols and derivatives
            • Level7 Inositol phosphates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Cyclic alcohols and derivatives - Cyclitols and derivatives
• Direct Parent: Inositol phosphates
• Alternative Parents: Monoalkyl phosphates Cyclohexanols Thiophosphate monoesters Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Inositol phosphate - Monoalkyl phosphate - Cyclohexanol - Organic thiophosphoric acid or derivatives - Alkyl phosphate - Thiophosphate monoester - Phosphoric acid ester - Thiophosphoric acid ester - Organic phosphoric acid derivative - Secondary alcohol - Polyol - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as inositol phosphates. These are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.
• 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)

INPP5A Tchem Type I inositol 1,4,5-trisphosphate 5-phosphatase (1 Activities)

Discover Target: INPP5A

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

Mechanisms of Action