PIK-III - Moligand™, ≥99% , Inhibitor of phosphatidylinositol 3-kinase catalytic subunit type 3, CAS No.1383716-40-2, Inhibitor of phosphatidylinositol 3-kinase catalytic subunit type 3

CAS: 1383716-40-2 Cat. No.: P413812 Molecular Weight: 319.36 PubChem CID: 67983123

GRADE & PURITY Moligand™, ≥99%

Synonyms

4'-(cyclopropylmethyl)-N2-(pyridin-4-yl)-[4,5'-bipyrimidine]-2,2'-diamine | Vps34-PIK-III

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

PIK-III (VPS34-IN2), which is a selective inhibitor of ​VPS34 enzymatic activity, inhibitsautophagyand de novo lipidation of LC3 and leads to the stabilization of autophagy substrates. The IC50 values for VPS34 and PI(3)Kδ are 0.018 μM and 1.2 μM respectively.

Targets

Vps34 (Cell-free assay); PI3Kδ (Cell-free assay) 0.018μM; 1.2μM

In vitro

VPS34 enzymatic function is essential for LC3 lipidation in mammalian cells and PIK-III is a robust inhibitor of autophagy and LC3 lipidation in mammalian cells.In H4 cells, PIK-III inhibits the formation of autolysosomes and increases the cytosolic signal of LC3 under basal conditions and when autophagy is induced with the mTOR inhibitor AZD8055.In a CCCP-induced mitophagy model, PIK-III inhibits the clearance of mitochondria.PIK-III treatment leads to an increase in the levels of LC3-I in H4 and PSN1 cells.In Panc10.05 cells, PIK-III increases the levels of LC3-II in parallel with LC3-I suggesting a cell type-specific response.

Cell Research(from reference)

Cell lines：H4 cells/ HeLa cells 

Concentrations：2.5μM in H4 cells/5μM in Hela cells 

Incubation Time：overnight for H4 cells/12h for Hela cells 

Specifications

Synonyms

4'-(cyclopropylmethyl)-N2-(pyridin-4-yl)-[4, 5'-bipyrimidine]-2, 2'-diamine | Vps34-PIK-III

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

PIK-III (VPS34-IN2), which is a selective inhibitor of \u200bVPS34 enzymatic activity, inhibits autophagy and de novo lipidation of LC3 and leads to the stabilization of autophagy substrates. The IC50 values for VPS34 and PI(3)Kδ are 0.018 μM and 1.2 μM r

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of phosphatidylinositol 3-kinase catalytic subunit type 3

Purity

≥99%

Product Properties

• ALogP: 2.2
• HBD Count: 2
• Rotatable Bond: 5

Names and Identifiers

• Pubchem Sid: 504771916
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771916
• Canonical Smiles: C1CC1CC2=NC(=NC=C2C3=NC(=NC=C3)NC4=CC=NC=C4)N
• IUPAC Name: 4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
• InChIKey: XXSDLQLNIVFIJI-UHFFFAOYSA-N
• INCHI: 1S/C17H17N7/c18-16-21-10-13(15(23-16)9-11-1-2-11)14-5-8-20-17(24-14)22-12-3-6-19-7-4-12/h3-8,10-11H,1-2,9H2,(H2,18,21,23)(H,19,20,22,24)
• Isomeric SMILES: C1CC1CC2=NC(=NC=C2C3=NC(=NC=C3)NC4=CC=NC=C4)N
• PubChem CID: 67983123
• Molecular Weight: 319.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyrimidines and oligopyrimidines
• Alternative Parents: Aminopyrimidines and derivatives Aminopyridines and derivatives Heteroaromatic compounds Secondary amines Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyrimidine - Aminopyrimidine - Aminopyridine - Pyridine - Heteroaromatic compound - Azacycle - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as bipyrimidines and oligopyrimidines. These are organic compounds containing two or more pyrimidine rings directly linked to each other. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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)

PIK3C3 Tchem Phosphatidylinositol 3-kinase catalytic subunit type 3 (5 Activities)

Discover Target: PIK3C3

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

PIK3CD Tclin PI3-kinase p110-delta subunit (6699 Activities)

Discover Target: PIK3CD

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

PIK3CG Tclin PI3-kinase p110-gamma subunit (5411 Activities)

Discover Target: PIK3CG

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

HepG2 (196354 Activities)

Explore this target

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

PIK3C3 Tchem Phosphatidylinositol 3-kinase catalytic subunit type 3 (535 Activities)

Discover Target: PIK3C3

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

SARS-CoV-2 (38078 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 63 mg/mL (197.26 mM); Ethanol: 63 mg/mL (197.26 mM); Water: Insoluble
• DMSO(mg / mL) Max Solubility: 63
• DMSO(mM) Max Solubility: 197.2695391
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 319.400 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 319.155 Da
• Monoisotopic Mass: 319.155 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 396.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1