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Applications
Protein kinases
Lipid modifying kinases
RV1729 , CAS No.1293915-42-0, Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit delta;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit gamma
RV1729 , CAS No.1293915-42-0, Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit delta;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit gamma
Basic Description
Synonyms
A888861 | BCP24985 | BDBM200639 | 6-[2-[[4-Amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-[(2-chlorophenyl)methyl]-3,4-dihydro-4-oxo-5-quinazolinyl]-N,N-bis(2-methoxyethyl)-5-hexynamide | 5-Hexynamide, 6-(2-((4-amino-3-(3-hydroxyphen
Specifications & Purity
Moligand™
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit delta;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit gamma
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrazoles
Alternative Parents
Quinazolines Pyrazolo[3,4-d]pyrimidines Pyrimidones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aminopyrimidines and derivatives Chlorobenzenes N-acyl amines Imidolactams Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Lactams Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpyrazole - Quinazoline - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Halobenzene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aminopyrimidine - Chlorobenzene - Phenol - Pyrimidone - N-acyl-amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Lactam - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl 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.
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
6-[2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-5-yl]-N,N-bis(2-methoxyethyl)hex-5-ynamide
INCHI
InChI=1S/C39H39ClN8O5/c1-52-20-18-46(19-21-53-2)33(50)17-5-3-4-10-26-12-9-16-31-34(26)39(51)47(23-28-11-6-7-15-30(28)40)32(44-31)24-48-38-35(37(41)42-25-43-38)36(45-48)27-13-8-14-29(49)22-27/h6-9,11-16,22,25,49H,3,5,17-21,23-24H2,1-2H3,(H2,41,42,43)
InChIKey
UBLOHCIYTDRGJH-UHFFFAOYSA-N
Smiles
COCCN(CCOC)C(=O)CCCC#CC1=C2C(=CC=C1)N=C(N(C2=O)CC3=CC=CC=C3Cl)CN4C5=NC=NC(=C5C(=N4)C6=CC(=CC=C6)O)N
Isomeric SMILES
COCCN(CCOC)C(=O)CCCC#CC1=C2C(=CC=C1)N=C(N(C2=O)CC3=CC=CC=C3Cl)CN4C5=NC=NC(=C5C(=N4)C6=CC(=CC=C6)O)N
Alternate CAS
1293915-42-0
PubChem CID
52913198
MeSH Entry Terms
6-(2-((4-amino-3-(3-hydroxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)methyl)-3-(2-chlorobenzyl)-4-oxo-3,4-dihydroquinazolin-5-yl)-N,N-bis(2-methoxyethyl)hex-5-ynamide;RV-1729
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
735.200 g/mol
XLogP3
4.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
15
Exact Mass
734.273 Da
Monoisotopic Mass
734.273 Da
Topological Polar Surface Area
161.000 Ų
Heavy Atom Count
53
Formal Charge
0
Complexity
1320.000
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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