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Akt3 degrader 1

CAT: 0931-T74982-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T74982-01Size:1 mg
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CAS Number
2836342-69-7
Target
Akt
Related Pathways
Cytoskeletal Signaling, PI3K/Akt/mTOR signaling
Purity
0.9914
Bioactivity
Akt3 degrader 1 is a specific Akt3 degrader with anticancer and antiproliferative activity that inhibits tumor growth in mice.Akt3 degrader 1 is used in the study of non-small cell lung cancer and pancreatic cancer.
Smiles
O=C1C=C(C=2C=NC(=NC2N1C=3C=CC=C(C3)NC(=O)C4CC4)NC5=CC=C(C=C5OC)N6CCN(CC6)CCCCCCCCCCCCNC(=O)CC78CC9CC(CC(C9)C7)C8)C
Molecular Formula
C53H72N8O4
Molecular Weight
885.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Akt3 degrader 1
CAS Number2836342-69-7
PubChem CID165437257
IUPAC NameN-[3-[2-[4-[4-[12-[[2-(1-adamantyl)acetyl]amino]dodecyl]piperazin-1-yl]-2-methoxyanilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]cyclopropanecarboxamide
Molecular FormulaC53H72N8O4
Molecular Weight885.2
XLogP10.4
Topological Polar Surface Area132
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Heavy Atom Count65
Formal Charge0
Complexity1570
SMILES
CC1=CC(=O)N(C2=NC(=NC=C12)NC3=C(C=C(C=C3)N4CCN(CC4)CCCCCCCCCCCCNC(=O)CC56CC7CC(C5)CC(C7)C6)OC)C8=CC=CC(=C8)NC(=O)C9CC9
InChI
InChI=1S/C53H72N8O4/c1-37-26-49(63)61(44-15-13-14-42(30-44)56-51(64)41-16-17-41)50-45(37)36-55-52(58-50)57-46-19-18-43(31-47(46)65-2)60-24-22-59(23-25-60)21-12-10-8-6-4-3-5-7-9-11-20-54-48(62)35-53-32-38-27-39(33-53)29-40(28-38)34-53/h13-15,18-19,26,30-31,36,38-41H,3-12,16-17,20-25,27-29,32-35H2,1-2H3,(H,54,62)(H,56,64)(H,55,57,58)
InChIKey
KLSALARRZCZNDM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Akt3 degrader 1
CAS: 2836342-69-7
CID: 165437257
Formula: C53H72N8O4
MW: 885.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight885.2
XLogP310.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count22
Exact Mass884.56765281
Monoisotopic Mass884.56765281
Topological Polar Surface Area132 Ų
Heavy Atom Count65
Formal Charge0
Complexity1570
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

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