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

CAS: 2056122-11-1 Cat. No.: H413402 Summenformel: C₁₉H₂₀N₆OS Molekulargewicht: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

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

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504773488

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773488

Kanonisches Lächeln

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)

Isomere SMILES

CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(NC4=O)SC=C5)N

Molekulargewicht

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
    • Klasse Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 76 mg/mL (199.75 mM); Ethanol: 10 mg/mL (26.28 mM); Water: Insoluble
• Molekulargewicht: 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