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FF-10101 - 10mM in DMSO, high purity , CAS No.1472797-69-5, Tyrosine-protein kinase receptor FLT3 inhibitor
Basic Description
Synonyms
FF-10101 | 1472797-69-5 | (S,E)-N-(1-((5-(2-((4-Cyanophenyl)amino)-4-(propylamino)pyrimidin-5-yl)pent-4-yn-1-yl)amino)-1-oxopropan-2-yl)-4-(dimethylamino)-N-methylbut-2-enamide | 7V7IHI0SYG | UNII-7V7IHI0SYG | Ff-10101-01 | 2-Butenamide, N-((1S)-2-((5-(2-((4-cyanophe
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
FF-10101 is a novel irreversible FLT3 inhibitor with ic50 of 0.20 nM and 0.16 nM for FLT3 (WT) and FLT3(D835Y), respectively.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Mechanism of action
Tyrosine-protein kinase receptor FLT3 inhibitor
Product Description
Information
FF-10101 FF-10101 is a novel irreversible FLT3 inhibitor with ic50 of 0.20 nM and 0.16 nM for FLT3 (WT) and FLT3(D835Y), respectively.
Targets
FLT3 (D835Y) (Cell-free assay); FLT3 (WT) (Cell-free assay) 0.16 nM; 0.20 nM
In vitro
FF-10101 potently and selectively inhibits the growth of mutant FLT3-expressing leukemia cells in vitro.
In vivo
Oral administration of FF-10101 shows significant anti-leukemic effects at 5 mg/kg and 10 mg/kg twice daily for 11 days in the PDX model of AML cells with FLT3-ITD.
Cell Research(from reference)
Cell lines：HEK293T cells
Incubation Time：1 h
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Alanine and derivatives
Alternative Parents
Benzonitriles Aniline and substituted anilines Aminopyrimidines and derivatives N-acyl amines Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alanine or derivatives - Benzonitrile - Aniline or substituted anilines - Aminopyrimidine - Monocyclic benzene moiety - N-acyl-amine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Nitrile - Carbonitrile - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Carbonyl group - Cyanide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
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.
Product Properties
ALogP
4.153
HBD Count
3
Rotatable Bond
15
Associated Targets(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
(E)-N-[(2S)-1-[5-[2-(4-cyanoanilino)-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide
INCHI
InChI=1S/C29H38N8O2/c1-6-17-31-27-24(21-33-29(35-27)34-25-15-13-23(20-30)14-16-25)11-8-7-9-18-32-28(39)22(2)37(5)26(38)12-10-19-36(3)4/h10,12-16,21-22H,6-7,9,17-19H2,1-5H3,(H,32,39)(H2,31,33,34,35)/b12-10+/t22-/m0/s1
InChIKey
HJFSVYUFOXAVAA-YUAYGMJFSA-N
Smiles
CCCNC1=NC(=NC=C1C#CCCCNC(=O)C(C)N(C)C(=O)C=CCN(C)C)NC2=CC=C(C=C2)C#N
Isomeric SMILES
CCCNC1=NC(=NC=C1C#CCCCNC(=O)[C@H](C)N(C)C(=O)/C=C/CN(C)C)NC2=CC=C(C=C2)C#N
PubChem CID
90052320
Molecular Weight
530.66
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
DMSO(mg / mL) Max Solubility
100
DMSO(mM) Max Solubility
188.444578449478
Water(mg / mL) Max Solubility
＜1
Molecular Weight
530.700 g/mol
XLogP3
3.600
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
14
Exact Mass
530.312 Da
Monoisotopic Mass
530.312 Da
Topological Polar Surface Area
126.000 Ų
Heavy Atom Count
39
Formal Charge
0
Complexity
906.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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