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CCT128930

CAT: 0931-T6303-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T6303-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
885499-61-6
Target
PKA, Akt, Apoptosis, Autophagy, S6 Kinase
Related Pathways
Cytoskeletal Signaling, Tyrosine Kinase/Adaptors, MAPK, Autophagy, PI3K/Akt/mTOR signaling, Apoptosis
Purity
0.9918
Bioactivity
CCT128930 is a potent, ATP-competitive and selective inhibitor of Akt2 with IC50 of 6 nM, 28-fold greater selectivity for Akt2 than the closely related PKA kinase.
Smiles
NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12
Molecular Formula
C18H20ClN5
Molecular Weight
341.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
BA2895-5CCT128930

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