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MK-2206 Dihydrochloride

CAT: 1568-C16093-10mgSize: 10 mgDry Ice: YesHazardous: No
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CAT#:1568-C16093-10mgSize:10 mg
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CAS Number
1032350-13-2
Target
Akt
Applications
PI3K/Akt/mTOR
Smiles
C1CC (C1) (C2=CC=C (C=C2) C3=C (C=C4C (=N3) C=CN5C4=NNC5=O) C6=CC=CC=C6) N.Cl.Cl
Molecular Formula
C25H21N5O.2HCl
Additionnal Information
MK-2206 2HCl is a highly selective inhibitor of Akt1/2/3 with IC50 of 8 nM/12 nM/65 nM in cell-free assays, respectively; no inhibitory activities against 250 other protein kinases observed. MK-2206 2HCl induces autophagy and apoptosis in cancer cells. Phase 2.
Storage Conditions
2 years -80 in solvent

Chemical Information

MK-2206 dihydrochloride
CAS Number1032350-13-2
PubChem CID46930998
IUPAC Name8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-one;dihydrochloride
Molecular FormulaC25H23Cl2N5O
Molecular Weight480.4
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity760
SMILES
C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N.Cl.Cl
InChI
InChI=1S/C25H21N5O.2ClH/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31;;/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31);2*1H
InChIKey
HWUHTJIKQZZBRA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MK-2206 dihydrochloride
CAS: 1032350-13-2
CID: 46930998
Formula: C25H23Cl2N5O
MW: 480.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight480.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass479.1279658
Monoisotopic Mass479.1279658
Topological Polar Surface Area83.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity760
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes