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FLT3-IN-3 , CAS No.2229050-90-0, Inhibitor of fms related receptor tyrosine kinase 3
Basic Description
Specifications & Purity
Moligand™
Biochemical and Physiological Mechanisms
FLT3-IN-3 is a potent inhibitor of FLT3 with IC50 of 13 nM and 8 nM for FLT3 WT and FLT3 D835Y, respectively.
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of fms related receptor tyrosine kinase 3
Product Description
Information
FLT3-IN-3 is a potent inhibitor of FLT3 with IC50 of 13 nM and 8 nM for FLT3 WT and FLT3 D835Y, respectively.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyrimidines
Subclass
Purines and purine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
6-aminopurines
Alternative Parents
Phenylmethylamines Benzylamines Aniline and substituted anilines Secondary alkylarylamines Cyclohexylamines Aralkylamines Aminopyrimidines and derivatives N-substituted imidazoles Morpholines Imidolactams Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-aminopurine - Aniline or substituted anilines - Phenylmethylamine - Benzylamine - Aralkylamine - Secondary aliphatic/aromatic amine - Cyclohexylamine - Aminopyrimidine - Imidolactam - Benzenoid - Pyrimidine - Oxazinane - N-substituted imidazole - Morpholine - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Azole - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Secondary amine - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole 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
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-(morpholin-4-ylmethyl)phenyl]purine-2,6-diamine
INCHI
InChI=1S/C27H38N8O/c28-20-7-11-22(12-8-20)31-27-32-25(24-26(33-27)35(18-29-24)23-3-1-2-4-23)30-21-9-5-19(6-10-21)17-34-13-15-36-16-14-34/h5-6,9-10,18,20,22-23H,1-4,7-8,11-17,28H2,(H2,30,31,32,33)
InChIKey
SAEGVASGMTZGFI-UHFFFAOYSA-N
Smiles
C1CCC(C1)N2C=NC3=C(N=C(N=C32)NC4CCC(CC4)N)NC5=CC=C(C=C5)CN6CCOCC6
Isomeric SMILES
C1CCC(C1)N2C=NC3=C(N=C(N=C32)NC4CCC(CC4)N)NC5=CC=C(C=C5)CN6CCOCC6
Molecular Weight
490.6
Reaxy-Rn
32807467
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32807467&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
490.600 g/mol
XLogP3
3.300
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
7
Exact Mass
490.317 Da
Monoisotopic Mass
490.317 Da
Topological Polar Surface Area
106.000 Ų
Heavy Atom Count
36
Formal Charge
0
Complexity
671.000
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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