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FLT3-IN-3

CAT: 0931-T11298-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T11298-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2229050-90-0
Target
FLT
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors
Purity
0.9997
Bioactivity
FLT3-IN-3 is an effective FLT3 inhibitor, and the IC50s of FLT3 WT and FLT3 D835Y are 13 and 8 nM, respectively.
Smiles
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(C3CCCC3)c2n1
Molecular Formula
C27H38N8O
Molecular Weight
490.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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Alternative Products

CatalogName
BA8964-1FLT3-IN-3
HY-173214FLT3-ITD-IN-3
A20172-50FLT3-IN-3 50mg
A20172-1FLT3-IN-3 1mg
GTR19237755-01JAK2/FLT3-IN-3
HY-144711FLT3/ITD-IN-3
A20172-500FLT3-IN-3 500mg
A20172-10FLT3-IN-3 10mg
A20172-100FLT3-IN-3 100mg
A20172-5FLT3-IN-3 5mg

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