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Unii-4T71DC0G0A , Tyrosine-protein kinase JAK2 inhibitor, CAS No.937273-04-6, Tyrosine-protein kinase JAK2 inhibitor
Basic Description
Synonyms
SB-1578 | SCHEMBL17594734 | CHEMBL2035185 | 7,12,26-TRIOXA-19,21,24-TRIAZATETRACYCLO(18.3.1.12,5.114,18)HEXACOSA-1(24),2,4,9,14,16,18(25),20,22-NONAENE, 15-(2-(1-PYRROLIDINYL)ETHOXY)-, (9E)- | 4T71DC0G0A | DB15294 | CT-1578 | SB1578 | NSC772920 | ONX-0805
Action Type
INHIBITOR
Mechanism of action
Tyrosine-protein kinase JAK2 inhibitor
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol ethers
Alternative Parents
Alkyl aryl ethers Pyrimidines and pyrimidine derivatives N-alkylpyrrolidines Heteroaromatic compounds Furans Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenol ether - Alkyl aryl ether - Pyrimidine - N-alkylpyrrolidine - Furan - Pyrrolidine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Ether - Dialkyl ether - Organoheterocyclic compound - Azacycle - Oxacycle - Amine - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(9E)-15-(2-pyrrolidin-1-ylethoxy)-7,12,26-trioxa-19,21,24-triazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene
INCHI
InChI=1S/C26H30N4O4/c1-2-12-30(11-1)13-16-33-24-7-5-21-17-20(24)18-31-14-3-4-15-32-19-22-6-8-25(34-22)23-9-10-27-26(28-21)29-23/h3-10,17H,1-2,11-16,18-19H2,(H,27,28,29)/b4-3+
InChIKey
NNXDIGHYPZHXTR-ONEGZZNKSA-N
Smiles
C1CCN(C1)CCOC2=C3COCC=CCOCC4=CC=C(O4)C5=NC(=NC=C5)NC(=C3)C=C2
Isomeric SMILES
C1CCN(C1)CCOC2=C3COC/C=C/COCC4=CC=C(O4)C5=NC(=NC=C5)NC(=C3)C=C2
PubChem CID
16750271
Molecular Weight
462.5
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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