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AKT-IN-3

CAT: 0804-HY-126257-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-126257-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AKT-IN-3 (compound E22) is a potent, orally active low hERG blocking Akt inhibitor, with 1.4 nM, 1.2 nM and 1.7 nM for Akt1, Akt2 and Akt3, respectively. AKT-IN-3 (compound E22) also exhibits good inhibitory activity against other AGC family kinases, such as PKA, PKC, ROCK1, RSK1, P70S6K, and SGK. AKT-IN-3 (compound E22) induces apoptosis and inhibits metastasis of cancer cells[1].
CAS Number
2374740-21-1
UNSPSC
12352005
Target
Akt; Apoptosis
Type
Reference compound
Related Pathways
Apoptosis; PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/akt-in-3.html
Purity
98.12
Solubility
DMSO : ≥ 100 mg/mL
Smiles
CNC(C[C@H]1NC[C@@H](NC(C2=CC(C3=C(Cl)C=NN3C)=C(Cl)O2)=O)[C@H](C4=CC(F)=C(F)C=C4)C1)=O
Molecular Formula
C23H23Cl2F2N5O3
Molecular Weight
526.36
References & Citations
[1]Dong X, et al. Discovery of 3,4,6-Trisubstituted Piperidine Derivatives as Orally Active, Low hERG Blocking Akt Inhibitors via Conformational Restriction and Structure-Based Design. J Med Chem. 2019 Aug 8;62 (15) :7264-7288.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Akt1; Akt2; Akt3

Chemical Information

Akt-IN-3
CAS Number2374740-21-1
PubChem CID138911338
IUPAC Name5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S,6S)-4-(3,4-difluorophenyl)-6-[2-(methylamino)-2-oxoethyl]piperidin-3-yl]furan-2-carboxamide
Molecular FormulaC23H23Cl2F2N5O3
Molecular Weight526.4
XLogP3.2
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity771
SMILES
CNC(=O)C[C@@H]1C[C@H]([C@@H](CN1)NC(=O)C2=CC(=C(O2)Cl)C3=C(C=NN3C)Cl)C4=CC(=C(C=C4)F)F
InChI
InChI=1S/C23H23Cl2F2N5O3/c1-28-20(33)7-12-6-13(11-3-4-16(26)17(27)5-11)18(10-29-12)31-23(34)19-8-14(22(25)35-19)21-15(24)9-30-32(21)2/h3-5,8-9,12-13,18,29H,6-7,10H2,1-2H3,(H,28,33)(H,31,34)/t12-,13-,18+/m0/s1
InChIKey
SXDPQGRNHSLZPC-ZJNRKIDTSA-N
Chemical Structure
2D Structure
2D structure of Akt-IN-3
CAS: 2374740-21-1
CID: 138911338
Formula: C23H23Cl2F2N5O3
MW: 526.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.4
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass525.1146013
Monoisotopic Mass525.1146013
Topological Polar Surface Area101 Ų
Heavy Atom Count35
Formal Charge0
Complexity771
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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