tinengotinib - Moligand™ , Inhibitor of aurora kinase A;Inhibitor of aurora kinase B;Inhibitor of fibroblast growth factor receptor 1;Inhibitor of fibroblast growth factor receptor 3;Inhibitor of fms related receptor tyrosine kinase 1;Inhibitor of Janus k, Inhibitor of aurora kinase A;Inhibitor of aurora kinase B;Inhibitor of fibroblast growth factor receptor 1;Inhibitor of fibroblast growth factor receptor 3;Inhibitor of fms related receptor tyrosine kinase 1;Inhibitor of Janus kinase 2;Inhibitor of kinase

CAS: 2230490-29-4 Cat. No.: T614464 PubChem CID: 137279257

GRADE & PURITY Moligand™

Synonyms

TT 00420 [WHO-DD] | Example 6 [US10889586B2] | Pyrazolo[4,3-b]pyrido[4,3-e][1,4]diazepine, 5-(2-chlorophenyl)-1,2-dihydro-3-methyl-8-(4-morpholinyl)- | UNII-WZ9TJ0L9Y8 | Tinengotinib | 5-(2-Chlorophenyl)-1,2-dihydro-3-methyl-8-(4-morpholinyl)pyrazolo[4,3-

Storage

Room temperature

Specifications

Synonyms

TT 00420 [WHO-DD] | Example 6 [US10889586B2] | Pyrazolo[4, 3-b]pyrido[4, 3-e][1, 4]diazepine, 5-(2-chlorophenyl)-1, 2-dihydro-3-methyl-8-(4-morpholinyl)- | UNII-WZ9TJ0L9Y8 | Tinengotinib | 5-(2-Chlorophenyl)-1, 2-dihydro-3-methyl-8-(4-morpholinyl)pyrazolo[4, 3-

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of aurora kinase A;Inhibitor of aurora kinase B;Inhibitor of fibroblast growth factor receptor 1;Inhibitor of fibroblast growth factor receptor 3;Inhibitor of fms related receptor tyrosine kinase 1;Inhibitor of Janus kinase 2;Inhibitor of kinase

Names and Identifiers

• Canonical Smiles: Clc1c(cccc1)c1c2c([nH]c3c(n1)c(n[nH]3)C)cc(nc2)N1CCOCC1
• IUPAC Name: 5-(2-chlorophenyl)-3-methyl-8-(morpholin-4-yl)-1,10-dihydropyrazolo[4,3-b]pyrido[4,3-e][1,4]diazepine
• InChIKey: DQFCVOOFMXEPOC-UHFFFAOYSA-N
• INCHI: 1S/C20H19ClN6O/c1-12-18-20(26-25-12)23-16-10-17(27-6-8-28-9-7-27)22-11-14(16)19(24-18)13-4-2-3-5-15(13)21/h2-5,10-11H,6-9H2,1H3,(H2,23,25,26)
• Isomeric SMILES: CC1=C2C(=NN1)NC3=CC(=NC=C3C(=N2)C4=CC=CC=C4Cl)N5CCOCC5
• PubChem CID: 137279257

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridodiazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridodiazepines
• Alternative Parents: Dialkylarylamines Chlorobenzenes Aminopyridines and derivatives Morpholines Imidolactams Aryl chlorides Pyrazoles Heteroaromatic compounds Ketimines Secondary amines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrido-para-diazepine - Dialkylarylamine - Halobenzene - Chlorobenzene - Aminopyridine - Imidolactam - Benzenoid - Pyridine - Oxazinane - Morpholine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Pyrazole - Azole - Ketimine - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridodiazepines. These are heterocyclic compounds containing a pyridine fused to a diazepine ring. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Diazepine is a 7-membered ring consisting of five carbon atoms and two nitrogen centers.
• 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)

FGFR1 Tclin Fibroblast growth factor receptor 1 (0 Activities)

Discover Target: FGFR1

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

FGFR3 Tclin Fibroblast growth factor receptor 3 (0 Activities)

Discover Target: FGFR3

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

AURKA Tchem Aurora kinase A (0 Activities)

Discover Target: AURKA

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

AURKB Tchem Aurora kinase B (0 Activities)

Discover Target: AURKB

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

FLT1 Tclin Vascular endothelial growth factor receptor 1 (0 Activities)

Discover Target: FLT1

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

KDR Tclin Vascular endothelial growth factor receptor 2 (0 Activities)

Discover Target: KDR

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

JAK2 Tclin Tyrosine-protein kinase JAK2 (0 Activities)

Discover Target: JAK2

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