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1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)-3-methyl-pyrrole-2,5-dione , Tyrosine-protein kinase receptor FLT3 inhibitor, CAS No.219773-55-4, Tyrosine-protein kinase receptor FLT3 inhibitor
Basic Description
Synonyms
HY-10072 | 1H-Pyrrole-2,5-dione,1-[[5-methoxy-2-(2-thienyl)-4-quinazolinyl]amino]-3-methyl- | 1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)-3-methyl-pyrrole-2,5-dione | AKOS040749546 | AS-602868 | SCHEMBL7859927 | 1-((5-Methoxy-2-(2-thienyl)-4-quinaz
Action Type
INHIBITOR
Mechanism of action
Tyrosine-protein kinase receptor FLT3 inhibitor
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Quinazolines
Direct Parent
Quinazolinamines
Alternative Parents
Anisoles Maleimides Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Imidolactams Thiophenes Pyrrolines Heteroaromatic compounds Dicarboximides Carboxylic acid hydrazides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazolinamine - Anisole - Phenol ether - Alkyl aryl ether - Maleimide - Pyrimidine - Imidolactam - Benzenoid - Dicarboximide - Pyrroline - Heteroaromatic compound - Thiophene - Carboxylic acid hydrazide - Ether - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
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
1-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-3-methylpyrrole-2,5-dione
INCHI
InChI=1S/C18H14N4O3S/c1-10-9-14(23)22(18(10)24)21-17-15-11(5-3-6-12(15)25-2)19-16(20-17)13-7-4-8-26-13/h3-9H,1-2H3,(H,19,20,21)
InChIKey
GZGLPBNOIFLLRE-UHFFFAOYSA-N
Smiles
CC1=CC(=O)N(C1=O)NC2=NC(=NC3=C2C(=CC=C3)OC)C4=CC=CS4
Isomeric SMILES
CC1=CC(=O)N(C1=O)NC2=NC(=NC3=C2C(=CC=C3)OC)C4=CC=CS4
PubChem CID
9820526
Molecular Weight
366.4
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
366.400 g/mol
XLogP3
3.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
4
Exact Mass
366.079 Da
Monoisotopic Mass
366.079 Da
Topological Polar Surface Area
113.000 Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
613.000
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
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