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Akt1-IN-8

CAT: 0804-HY-173122Size: 1 EachDry Ice: NoHazardous: No
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Description
Akt1-IN-8 (Compound JL18) is a potent and oral bioavailable (41%) inhibitor of AKT1 kinase, with an IC50 of 8.8 nM. Akt1-IN-8 exhibits significant antiproliferative effects against PC-3 prostate cancer cells, with an IC50 of 3.0 μM. Akt1-IN-8 can reduce phosphorylated GSK3β levels[1].
CAS Number
2247688-87-3
UNSPSC
12352005
Target
Akt
Related Pathways
PI3K/Akt/mTOR
Field of Research
Cancer
Smiles
O=C(C(CNC(C)C)C1=CC=C(C=C1)Br)N2CCN(CC2)C3=C4C(Br)=NNC4=NC=N3
Molecular Formula
C21H25Br2N7O
Molecular Weight
551.28
References & Citations
[1]Sun J, et, al. The discovery of novel N-heterocyclic-based AKT inhibitors with potential efficacy against prostate cancer. Eur J Med Chem. 2025 May 5:289:117435.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Akt1

Chemical Information

2-(4-bromophenyl)-1-[4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CAS Number2247688-87-3
PubChem CID177823131
IUPAC Name2-(4-bromophenyl)-1-[4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
Molecular FormulaC21H25Br2N7O
Molecular Weight551.3
XLogP3.6
Topological Polar Surface Area90
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity596
SMILES
CC(C)NCC(C1=CC=C(C=C1)Br)C(=O)N2CCN(CC2)C3=NC=NC4=NNC(=C43)Br
InChI
InChI=1S/C21H25Br2N7O/c1-13(2)24-11-16(14-3-5-15(22)6-4-14)21(31)30-9-7-29(8-10-30)20-17-18(23)27-28-19(17)25-12-26-20/h3-6,12-13,16,24H,7-11H2,1-2H3,(H,25,26,27,28)
InChIKey
RNVXPRJSRCEPIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-bromophenyl)-1-[4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CAS: 2247688-87-3
CID: 177823131
Formula: C21H25Br2N7O
MW: 551.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight551.3
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass551.04668
Monoisotopic Mass549.04873
Topological Polar Surface Area90 Ų
Heavy Atom Count31
Formal Charge0
Complexity596
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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