HPK1-IN-2 - ≥98% , CAS No.2056122-11-1

CAS: 2056122-11-1 Cat. No.: H413402 Molecular Weight: 380.47

GRADE & PURITY ≥98%

Synonyms

Thieno[2,​3-​b]​pyridin-​6(7H)​-​one,4-​amino-​5-​[6-​(4-​methyl-​1-​piperazinyl)​-​1H-​benzimidazol-​2-​yl]​-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

HPK1-IN-2 HPK1-IN-2 is a potent and orally active inhibitor of hematopoietic progenitor kinase-1 (HPK1, a serine/threonine Ste20-related protein kinase) , Lck and Flt3 with IC50 of <0.05 μM, IC50 of <0.5 μM and IC50 of <0.05 μM, respectively. HPK1-IN-2 exhibits antitumor activity.

Targets

HPK1 (Cell-free assay); Flt3 (Cell-free assay); Lck (Cell-free assay) 0.05 μM; 0.05 μM; 0.5 μM

Specifications

Synonyms

Thieno[2, ​3-​b]​pyridin-​6(7H)​-​one, 4-​amino-​5-​[6-​(4-​methyl-​1-​piperazinyl)​-​1H-​benzimidazol-​2-​yl]​-

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

HPK1-IN-2 is a potent and orally active inhibitor of hematopoietic progenitor kinase-1 (HPK1, a serine/threonine Ste20-related protein kinase), Lck and Flt3 with IC50 of <0.05 μM, IC50 of <0.5 μM and IC50 of <0.05 μM, respectively. HPK1-IN-2 exhi

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.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504773488
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773488
• Canonical Smiles: CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(NC4=O)SC=C5)N
• IUPAC Name: 4-amino-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7H-thieno[2,3-b]pyridin-6-one
• InChIKey: WKFZMTSRRQSGEY-UHFFFAOYSA-N
• INCHI: 1S/C19H20N6OS/c1-24-5-7-25(8-6-24)11-2-3-13-14(10-11)22-17(21-13)15-16(20)12-4-9-27-19(12)23-18(15)26/h2-4,9-10H,5-8H2,1H3,(H,21,22)(H3,20,23,26)
• Isomeric SMILES: CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(NC4=O)SC=C5)N
• Molecular Weight: 380.47
• Reaxy-Rn: 31097493
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31097493&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Thienopyridines Benzimidazoles Dialkylarylamines Pyridinones N-methylpiperazines Aminopyridines and derivatives Benzenoids Vinylogous amides Thiophenes Imidazoles Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Thienopyridine - Benzimidazole - Dialkylarylamine - Tertiary aliphatic/aromatic amine - N-alkylpiperazine - N-methylpiperazine - Pyridinone - Aminopyridine - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Thiophene - Imidazole - Azole - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
• 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)

LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)

Discover Target: LCK

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

FLT3 Tclin Tyrosine-protein kinase receptor FLT3 (13481 Activities)

Discover Target: FLT3

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: 76 mg/mL (199.75 mM); Ethanol: 10 mg/mL (26.28 mM); Water: Insoluble
• Molecular Weight: 380.500 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 380.142 Da
• Monoisotopic Mass: 380.142 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 634.000
• 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