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CCT128930

CAT: 1410-M16409-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M16409-06Size:50 mg
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Description
CCT128930 is a potent, selective, ATP-competitive AKT inhibitor with IC50 of 6 nM (AKT2) .
CAS Number
885499-61-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
341.8
Molecular Formula
C18H20ClN5
Notes
Research use only, not for human use.
Receptor
Akt2 , p70 S6K , PKA

Chemical Information

4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-amine

an antineoplastic agent; structure in first source

CAS Number885499-61-6
PubChem CID17751819
IUPAC Name4-[(4-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
Molecular FormulaC18H20ClN5
Molecular Weight341.8
XLogP3.1
Topological Polar Surface Area70.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity418
SMILES
C1CN(CCC1(CC2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4
InChI
InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)
InChIKey
RZIDZIGAXXNODG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-amine
CAS: 885499-61-6
CID: 17751819
Formula: C18H20ClN5
MW: 341.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.8
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass341.1407234
Monoisotopic Mass341.1407234
Topological Polar Surface Area70.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity418
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

Alternative Products

CatalogName
B1763-1CCT128930

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