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FLT3-IN-3

CAT: 0804-HY-112145-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-112145-01Size:5 mg
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Description
FLT3-IN-3 is a potent FLT3 inhibitor with IC50s of 13 and 8 nM for FLT3 WT and FLT3 D835Y, respectively.
CAS Number
2229050-90-0
UNSPSC
12352005
Target
FLT3
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/FLT3-IN-3.html
Purity
99.95
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
N[C@H](CC1)CC[C@@H]1NC2=NC3=C(N=CN3C4CCCC4)C(NC5=CC=C(CN6CCOCC6)C=C5)=N2
Molecular Formula
C27H38N8O
Molecular Weight
490.64
References & Citations
[1]Gucký T, et al. Discovery of N2- (4-Amino-cyclohexyl) -9-cyclopentyl- N6- (4-morpholin-4-ylmethyl-phenyl) - 9H-purine-2,6-diamine as a Potent FLT3 Kinase Inhibitor for Acute Myeloid Leukemia with FLT3 Mutations. J Med Chem. 2018 May 10;61 (9) :3855-3869.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Flt3-IN-3
CAS Number2229050-90-0
PubChem CID133081975
IUPAC Name2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-(morpholin-4-ylmethyl)phenyl]purine-2,6-diamine
Molecular FormulaC27H38N8O
Molecular Weight490.6
XLogP3.3
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity671
SMILES
C1CCC(C1)N2C=NC3=C(N=C(N=C32)NC4CCC(CC4)N)NC5=CC=C(C=C5)CN6CCOCC6
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
Chemical Structure
2D Structure
2D structure of Flt3-IN-3
CAS: 2229050-90-0
CID: 133081975
Formula: C27H38N8O
MW: 490.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.6
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass490.31685787
Monoisotopic Mass490.31685787
Topological Polar Surface Area106 Ų
Heavy Atom Count36
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A20172-100FLT3-IN-3 100mg
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