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GEM144

CAT: 0931-T62916-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T62916-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2487526-28-1
Target
Apoptosis, Others, DNA/RNA Synthesis, HDAC
Related Pathways
Others, Chromatin/Epigenetic, Cell Cycle/Checkpoint, DNA Damage/DNA Repair, Apoptosis
Bioactivity
GEM144 is a potent, orally active dual inhibitor of DNA polymerase α (POLA1) and HDAC 11. GEM144 induces p53 acetylation, activates p21, blocks the cell cycle in G1/S phase and induces apoptosis.
Smiles
O(C(C(NO)=O)C)C1=C(C23CC4CC(C2)CC(C3)C4)C=C(C=C1)C5=CC=C(/C=C/C(O)=O)C=C5
Molecular Formula
C28H31NO5
Molecular Weight
461.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 153307898
CAS Number2487526-28-1
PubChem CID153307898
IUPAC Name(E)-3-[4-[3-(1-adamantyl)-4-[1-(hydroxyamino)-1-oxopropan-2-yl]oxyphenyl]phenyl]prop-2-enoic acid
Molecular FormulaC28H31NO5
Molecular Weight461.5
XLogP6.1
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity744
SMILES
CC(C(=O)NO)OC1=C(C=C(C=C1)C2=CC=C(C=C2)/C=C/C(=O)O)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C28H31NO5/c1-17(27(32)29-33)34-25-8-7-23(22-5-2-18(3-6-22)4-9-26(30)31)13-24(25)28-14-19-10-20(15-28)12-21(11-19)16-28/h2-9,13,17,19-21,33H,10-12,14-16H2,1H3,(H,29,32)(H,30,31)/b9-4+
InChIKey
PIJPEZHKJKJZHS-RUDMXATFSA-N
Chemical Structure
2D Structure
2D structure of CID 153307898
CAS: 2487526-28-1
CID: 153307898
Formula: C28H31NO5
MW: 461.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.5
XLogP36.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass461.22022309
Monoisotopic Mass461.22022309
Topological Polar Surface Area95.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity744
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C04944GEM144
A24023-10GEM144 10mg
A24023-100GEM144 100mg
A24023-5GEM144 5mg
A24023-50GEM144 50mg

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