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KTC1101

CAT: 0931-T89831-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T89831-02Size:1 mL - 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2764833-47-6
Target
Akt, mTOR, PI3K
Related Pathways
PI3K/Akt/mTOR signaling, Cytoskeletal Signaling
Purity
0.9875
Bioactivity
KTC1101 is an oral-active, pan-PI3K inhibitor targeting tumor cell proliferation and tumor microenvironment, with anti-proliferative and anti-tumor activity, reducing downstream AKT and mTOR phosphorylation.
Smiles
FC(F)C1=NC=2C(OC)=CC(N)=CC2N1C=3N=C(N=C(N3)N4CCOCCC4)N5CCOCC5
Molecular Formula
C21H26F2N8O3
Molecular Weight
476.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 171364488
CAS Number2764833-47-6
PubChem CID171364488
IUPAC Name2-(difluoromethyl)-7-methoxy-3-[4-morpholin-4-yl-6-(1,4-oxazepan-4-yl)-1,3,5-triazin-2-yl]benzimidazol-5-amine
Molecular FormulaC21H26F2N8O3
Molecular Weight476.5
XLogP2
Topological Polar Surface Area117
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity664
SMILES
COC1=CC(=CC2=C1N=C(N2C3=NC(=NC(=N3)N4CCOCC4)N5CCCOCC5)C(F)F)N
InChI
InChI=1S/C21H26F2N8O3/c1-32-15-12-13(24)11-14-16(15)25-18(17(22)23)31(14)21-27-19(29-3-2-7-33-8-4-29)26-20(28-21)30-5-9-34-10-6-30/h11-12,17H,2-10,24H2,1H3
InChIKey
YHGMSNKRMDPXAJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 171364488
CAS: 2764833-47-6
CID: 171364488
Formula: C21H26F2N8O3
MW: 476.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.5
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass476.20959305
Monoisotopic Mass476.20959305
Topological Polar Surface Area117 Ų
Heavy Atom Count34
Formal Charge0
Complexity664
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
BA8671-50KTC1101

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