5-phenyl-N-(2-phenylethyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[3,2-e]pyrimidin-4-amine - Moligand™ , Inhibitor of LCK proto-oncogene; Src family tyrosine kinase;Inhibitor of tyrosine kinase non receptor 2, CAS No.P609095, Inhibitor of LCK proto-oncogene; Src family tyrosine kinase;Inhibitor of tyrosine kinase non receptor 2

CAS: P609095 Cat. No.: P609095 PubChem CID: 11540659

GRADE & PURITY Moligand™

Synonyms

compound 30

Storage

Room temperature

Specifications

Synonyms

compound 30

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of LCK proto-oncogene; Src family tyrosine kinase;Inhibitor of tyrosine kinase non receptor 2

Names and Identifiers

• Canonical Smiles: c1ccc(cc1)c1c(oc2c1c(NCCc1ccccc1)ncn2)c1ccc(cc1)OCCN1CCCC1
• IUPAC Name: 5-phenyl-N-(2-phenylethyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[3,2-e]pyrimidin-4-amine
• InChIKey: CYXPHNZJEDAZDD-UHFFFAOYSA-N
• INCHI: 1S/C32H32N4O2/c1-3-9-24(10-4-1)17-18-33-31-29-28(25-11-5-2-6-12-25)30(38-32(29)35-23-34-31)26-13-15-27(16-14-26)37-22-21-36-19-7-8-20-36/h1-6,9-16,23H,7-8,17-22H2,(H,33,34,35)
• Isomeric SMILES: C1CCN(C1)CCOC2=CC=C(C=C2)C3=C(C4=C(N=CN=C4O3)NCCC5=CC=CC=C5)C6=CC=CC=C6
• PubChem CID: 11540659

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Furans
      • Subclass Diphenylfurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Furans
• Subclass: Diphenylfurans
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,3-diphenylfurans
• Alternative Parents: Furo[2,3-d]pyrimidines Phenoxy compounds Phenol ethers Aminopyrimidines and derivatives Alkyl aryl ethers N-alkylpyrrolidines Imidolactams Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2,3-diphenylfuran - Furo[2,3-d]pyrimidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Ether - Oxacycle - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,3-diphenylfurans. These are organic heterocyclic compounds that contain a furan ring substituted with a phenyl group only the C2- and C3-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)

LCK Tclin Tyrosine-protein kinase Lck (2 Activities)

Discover Target: LCK

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

TNK2 Tclin Activated CDC42 kinase 1 (2 Activities)

Discover Target: TNK2

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

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

TNK2 Tclin Tyrosine kinase non-receptor protein 2 (2836 Activities)

Discover Target: TNK2

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

Mechanisms of Action