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Eprenetapopt

CAT: 0931-T4414-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T4414-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5291-32-7
Target
Apoptosis, Reductase, Ferroptosis, MDM-2/p53, Autophagy, p53
Related Pathways
Autophagy, Endocrinology/Hormones, Metabolism, Apoptosis
Purity
0.9957
Bioactivity
Eprenetapopt (PRIMA-1Met) restores wild-type conformation and function to mutant p53, and triggers apoptosis in tumor cells. PRIMA-1MET also targets the selenoprotein thioredoxin reductase 1 (TrxR1), a key regulator of cellular redox balance.
Smiles
COCC1(CO)N2CCC(CC2)C1=O
Molecular Formula
C10H17NO3
Molecular Weight
199.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(Hydroxymethyl)-2-(methoxymethyl)-1-azabicyclo(2.2.2)octan-3-one

Eprenetapopt has been used in trials studying the treatment of Prostatic Neoplasms, Hematologic Neoplasms, and Platinum Sensitive Recurrent High-grade Serous Ovarian Cancer With Mutated p53.

CAS Number5291-32-7
PubChem CID52918385
IUPAC Name2-(hydroxymethyl)-2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one
Molecular FormulaC10H17NO3
Molecular Weight199.25
XLogP-0.1
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity236
SMILES
COCC1(C(=O)C2CCN1CC2)CO
InChI
InChI=1S/C10H17NO3/c1-14-7-10(6-12)9(13)8-2-4-11(10)5-3-8/h8,12H,2-7H2,1H3
InChIKey
BGBNULCRKBVAKL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Hydroxymethyl)-2-(methoxymethyl)-1-azabicyclo(2.2.2)octan-3-one
CAS: 5291-32-7
CID: 52918385
Formula: C10H17NO3
MW: 199.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight199.25
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass199.12084340
Monoisotopic Mass199.12084340
Topological Polar Surface Area49.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity236
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes