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Opevesostat (ODM208)

CAT: 0957-E1650-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E1650-5mgSize:5 mg
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CAS Number
2231294-96-3
Target
P450 (e.g. CYP17)
Applications
Metabolism
Molecular Formula
C21H26N2O5S
Additionnal Information
Opevesostat (ODM208) is the first-in-class, selective, nonsteroidal, oral CYP11A1 inhibitor. ODM208 exhibits a rapid, complete, durable, and reversible inhibition of the steroid hormone biosynthesis in an adrenocortical carcinoma cell model in vitro, in adult noncastrated male mice and dogs, and in patients with CRPC.

Chemical Information

Opevesostat

Opevesostat is an orally bioavailable, non-steroidal, selective inhibitor of the enzyme cytochrome 450 side-chain cleavage (scc) (CYP11A1), with potential antineoplastic activity. Upon oral administration, opevesostat targets, binds to and inhibits the activity of CYP11A1. This prevents the synthesis of all steroid hormones and their precursors. This may inhibit proliferation of hormone-positive tumor cells. CYP11A1, a mitochondrial enzyme, catalyzes the conversion of cholesterol to pregnenolone (Preg), which is the first rate-liming step in steroid hormone biosynthesis.

CAS Number2231294-96-3
PubChem CID135151902
IUPAC Name2-(1,3-dihydroisoindol-2-ylmethyl)-5-[(1-methylsulfonylpiperidin-4-yl)methoxy]pyran-4-one
Molecular FormulaC21H26N2O5S
Molecular Weight418.5
XLogP1.3
Topological Polar Surface Area84.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity763
SMILES
CS(=O)(=O)N1CCC(CC1)COC2=COC(=CC2=O)CN3CC4=CC=CC=C4C3
InChI
InChI=1S/C21H26N2O5S/c1-29(25,26)23-8-6-16(7-9-23)14-28-21-15-27-19(10-20(21)24)13-22-11-17-4-2-3-5-18(17)12-22/h2-5,10,15-16H,6-9,11-14H2,1H3
InChIKey
LHVKCOBGLZGRQZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Opevesostat
CAS: 2231294-96-3
CID: 135151902
Formula: C21H26N2O5S
MW: 418.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.5
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass418.15624311
Monoisotopic Mass418.15624311
Topological Polar Surface Area84.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity763
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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