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3CAI

CAT: 0931-T14034-07Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-T14034-07Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
28755-03-5
Target
Akt
Related Pathways
Cytoskeletal Signaling, PI3K/Akt/mTOR signaling
Purity
0.9962
Bioactivity
3CAI is a potent and specific AKT1 and AKT2 inhibitor, demonstrating significant inhibition of AKT in an in vitro kinase assay. It suppressed the expression of AKT direct downstream targets (such as mTOR and GSK3β) and induced growth inhibition and apoptosis in colon cancer cells.
Smiles
ClCC(=O)c1c[nH]c2ccccc12
Molecular Formula
C10H8ClNO
Molecular Weight
193.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Chloroacetylindole
CAS Number28755-03-5
PubChem CID152961
IUPAC Name2-chloro-1-(1H-indol-3-yl)ethanone
Molecular FormulaC10H8ClNO
Molecular Weight193.63
XLogP2.7
Topological Polar Surface Area32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity207
SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)CCl
InChI
InChI=1S/C10H8ClNO/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,12H,5H2
InChIKey
LLZQFAXTCYDVTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Chloroacetylindole
CAS: 28755-03-5
CID: 152961
Formula: C10H8ClNO
MW: 193.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.63
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass193.0294416
Monoisotopic Mass193.0294416
Topological Polar Surface Area32.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity207
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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217170Akt Inhibitor XIX, 3CAI (2-Chloro-1- (1H-indol-3-yl) -ethanone, 3-Chloroacetyl-indole)

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