PIP₂ - Moligand™ , Activator of HCN2;Antagonist of IP 3R1;Activator of K ir2.1;Activator of K ir3.1;Activator of K ir3.2;Activator of K ir3.3;Activator of K ir3.4;Activator of K v7.2;Activator of K v7.4;Activator of PLD2;Activator of TRPM2;Activator of TR, Activator of HCN2;Antagonist of IP 3R1;Activator of K ir2.1;Activator of K ir3.1;Activator of K ir3.2;Activator of K ir3.3;Activator of K ir3.4;Activator of K v7.2;Activator of K v7.4;Activator of PLD2;Activator of TRPM2;Activator of TRPM4;Activator of TR

CAS: P612841 Cat. No.: P612841 PubChem CID: 5311358

GRAU & PUREZA Moligand™

Storage

Room temperature

Especificações

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Tipo de ação

ACTIVATOR, ANTAGONIST

Mecanismo de ação

Activator of HCN2;Antagonist of IP 3R1;Activator of K ir2.1;Activator of K ir3.1;Activator of K ir3.2;Activator of K ir3.3;Activator of K ir3.4;Activator of K v7.2;Activator of K v7.4;Activator of PLD2;Activator of TRPM2;Activator of TRPM4;Activator of TR

Nomes e identificadores

Sorrisos canónicos

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O

IUPAC Name

[(2R)-3-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate

InChIKey

IGQSAMXNWMLOOS-GGDMTQDZSA-N

INCHI

1S/C45H85O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h17-20,37,40-45,48-50H,3-16,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b19-17-,20-18-/t37-,40-,41+,42+,43-,44-,45-/m1/s1

SMILES isoméricas

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC

PubChem CID

5311358

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Glycerophospholipids
      • Subclass Glycerophosphoinositol phosphates
        • Level5 Phosphatidylinositol phosphates
          • Level6 Phosphatidylinositol-4,5-bisphosphates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Glycerophospholipids
• Subclass: Glycerophosphoinositol phosphates
• Intermediate Tree Nodes: Phosphatidylinositol phosphates
• Direct Parent: Phosphatidylinositol-4,5-bisphosphates
• Alternative Parents: Phosphatidylinositols Inositol phosphates Monoalkyl phosphates Fatty acid esters Dialkyl phosphates Cyclohexanols Dicarboxylic acids and derivatives Carboxylic acid esters Polyols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Diacylglycerophosphoinositol-4,5-bisphosphate - Diacylglycerophosphoinositol - Glycerophosphoinositol - Inositol phosphate - Dialkyl phosphate - Monoalkyl phosphate - Fatty acid ester - Cyclohexanol - Fatty acyl - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Dicarboxylic acid or derivatives - Cyclitol or derivatives - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Polyol - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phosphatidylinositol-4,5-bisphosphates. These are phosphatidylinositol bisphosphates in which the two phosphate groups are at C-4 and C-5 of the inositol 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

Alvos associados (humanos)

PLD2 Tchem Phospholipase D2 (0 Activities)

Discover Target: PLD2

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

TRPM2 Tchem Transient receptor potential cation channel subfamily M member 2 (0 Activities)

Discover Target: TRPM2

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

TRPM4 Tchem Transient receptor potential cation channel subfamily M member 4 (2 Activities)

Discover Target: TRPM4

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

TRPM7 Tchem Transient receptor potential cation channel subfamily M member 7 (0 Activities)

Discover Target: TRPM7

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

KCNJ2 Tchem Inward rectifier potassium channel 2 (0 Activities)

Discover Target: KCNJ2

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

KCNJ6 Tchem G protein-activated inward rectifier potassium channel 2 (0 Activities)

Discover Target: KCNJ6

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

KCNQ4 Tclin Potassium voltage-gated channel subfamily KQT member 4 (1 Activities)

Discover Target: KCNQ4

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

ITPR1 Tchem Inositol 1,4,5-trisphosphate receptor type 1 (0 Activities)

Discover Target: ITPR1

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

KCNJ3 Tchem G protein-activated inward rectifier potassium channel 1 (0 Activities)

Discover Target: KCNJ3

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

KCNJ9 Tbio G protein-activated inward rectifier potassium channel 3 (0 Activities)

Discover Target: KCNJ9

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

HCN2 Tclin Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 (1 Activities)

Discover Target: HCN2

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

KCNQ2 Tclin Potassium voltage-gated channel subfamily KQT member 2 (1 Activities)

Discover Target: KCNQ2

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

KCNJ5 Tchem G protein-activated inward rectifier potassium channel 4 (0 Activities)

Discover Target: KCNJ5

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