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AT7867 dihydrochloride

CAT: 0931-T21624Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T21624Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1431697-86-7
Target
Akt, Others, PKA, S6 Kinase
Related Pathways
PI3K/Akt/mTOR signaling, Tyrosine Kinase/Adaptors, MAPK, Others, Cytoskeletal Signaling
Bioactivity
AT7867 dihydrochloride is a potent ATP-competitive inhibitor of Akt1/Akt2/Akt3 and p70S6K/PKA kinase, with IC50 values of 32 nM/17 nM/47 nM and 85 nM/20 nM, respectively. It induces pharmacodynamic changes and inhibits human tumor xenograft growth.
Smiles
Cl.Cl.Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1cn[nH]c1
Molecular Formula
C20H22Cl3N3
Molecular Weight
410.77
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AT7867 dihydrochloride
CAS Number1431697-86-7
PubChem CID71576653
IUPAC Name4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine;dihydrochloride
Molecular FormulaC20H22Cl3N3
Molecular Weight410.8
Topological Polar Surface Area40.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity394
SMILES
C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl.Cl.Cl
InChI
InChI=1S/C20H20ClN3.2ClH/c21-19-7-5-18(6-8-19)20(9-11-22-12-10-20)17-3-1-15(2-4-17)16-13-23-24-14-16;;/h1-8,13-14,22H,9-12H2,(H,23,24);2*1H
InChIKey
ICUAUJBVBVIUAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AT7867 dihydrochloride
CAS: 1431697-86-7
CID: 71576653
Formula: C20H22Cl3N3
MW: 410.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass409.087931
Monoisotopic Mass409.087931
Topological Polar Surface Area40.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity394
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

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