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ASP-9521

CAT: 1410-M17149-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M17149-02Size:10 mg
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Description
ASP-9521 is an effective, specific and orally available AKR1C3 inhibitor (IC50: 11 nM, for human) .
CAS Number
1126084-37-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
330.32
Molecular Formula
C19H26N2O3
Notes
Research use only, not for human use.
Receptor
AKR1C3

Chemical Information

Asp-9521

17beta-Hydroxysteroid Dehydrogenase Type 5 Inhibitor ASP9521 is a selective, orally bioavailable inhibitor of 17beta-hydroxysteroid dehydrogenase type 5 (17bHSD5, aldo-keto reductase 1C3; AKR1C3), with potential antineoplastic activity. Upon administration, ASP9521 selectively binds to and inhibits the activity of 17bHSD5. This prevents the conversion of the adrenal androgens dehydroepiandrosterone and androstenedione into 5-androstenediol and testosterone. By blocking testosterone production, ASP9521 may inhibit the growth of testosterone-dependent cancers such as castration-resistant prostate cancer (CRPC). 17bHSD5, expressed both in normal prostate tissue and in prostate cancer (PC), plays a crucial role in persistent production of androgens despite castration; its expression is associated with increased malignancy of PC.

CAS Number1126084-37-4
PubChem CID25210792
IUPAC Name[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
Molecular FormulaC19H26N2O3
Molecular Weight330.4
XLogP2.8
Topological Polar Surface Area65.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity446
SMILES
CC(C)(CC1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)OC)O
InChI
InChI=1S/C19H26N2O3/c1-19(2,23)12-13-6-8-21(9-7-13)18(22)17-11-14-10-15(24-3)4-5-16(14)20-17/h4-5,10-11,13,20,23H,6-9,12H2,1-3H3
InChIKey
OXSCPDKUZWPWFR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Asp-9521
CAS: 1126084-37-4
CID: 25210792
Formula: C19H26N2O3
MW: 330.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.4
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass330.19434270
Monoisotopic Mass330.19434270
Topological Polar Surface Area65.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity446
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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