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AAE871

CAT: 0931-T69497-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T69497-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
289479-07-8
Target
FLT, Others
Related Pathways
Tyrosine Kinase/Adaptors, Others, Angiogenesis
Bioactivity
AAE871 is a type I FLT3 inhibitor.
Smiles
N(C1=C2C(N(CC)C=N2)=NC(N[C@@H]3CC[C@@H](N)CC3)=N1)C4=CC=C(S(=O)(=O)N5CCCCC5)C=C4
Molecular Formula
C24H34N8O2S
Molecular Weight
498.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 9892122
CAS Number289479-07-8
PubChem CID9892122
IUPAC Name2-N-(4-aminocyclohexyl)-9-ethyl-6-N-(4-piperidin-1-ylsulfonylphenyl)purine-2,6-diamine
Molecular FormulaC24H34N8O2S
Molecular Weight498.6
XLogP2.9
Topological Polar Surface Area139
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity773
SMILES
CCN1C=NC2=C(N=C(N=C21)NC3CCC(CC3)N)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5
InChI
InChI=1S/C24H34N8O2S/c1-2-31-16-26-21-22(29-24(30-23(21)31)28-19-8-6-17(25)7-9-19)27-18-10-12-20(13-11-18)35(33,34)32-14-4-3-5-15-32/h10-13,16-17,19H,2-9,14-15,25H2,1H3,(H2,27,28,29,30)
InChIKey
IUUNTNJCKSXDOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 9892122
CAS: 289479-07-8
CID: 9892122
Formula: C24H34N8O2S
MW: 498.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.6
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass498.25254353
Monoisotopic Mass498.25254353
Topological Polar Surface Area139 Ų
Heavy Atom Count35
Formal Charge0
Complexity773
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

Alternative Products

CatalogName
HY-122240AAE871

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