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CCT128930

CAT: 1568-C08740-03Size: 1 gDry Ice: YesHazardous: No
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CAT#:1568-C08740-03Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
885499-61-6
SKU
C08740-5mg
Target
Akt
Applications
PI3K/Akt/mTOR
Smiles
C1CN (CCC1 (CC2=CC=C (C=C2) Cl) N) C3=NC=NC4=C3C=CN4
Molecular Formula
C18H20ClN5
Additionnal Information
CCT128930 is a potent, ATP-competitive and selective inhibitor of Akt2 with IC50 of 6 nM in a cell-free assay, 28-fold greater selectivity for Akt2 than the closely related PKA kinase. CCT128930 induces cell cycle arrest, DNA damage, and autophagy independent of Akt inhibition. High dose of CCT128930 triggers cell apoptosis in HepG2 cells.
Storage Conditions
2 years -80 in solvent

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
MBS3617092-01CCT128930 hydrochloride
A11031-200CCT128930 200mg

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