ASP-9521

CAT: 1410-M17149-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No

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CAT#:1410-M17149-01Size:1 mL x 10 mM in DMSO

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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 Number	1126084-37-4
PubChem CID	25210792
IUPAC Name	[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
Molecular Formula	C19H26N2O3
Molecular Weight	330.4
XLogP	2.8
Topological Polar Surface Area	65.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	446

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

CAS: 1126084-37-4

CID: 25210792

Formula: C19H26N2O3

MW: 330.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	330.4
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	330.19434270
Monoisotopic Mass	330.19434270
Topological Polar Surface Area	65.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	446
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-19903-01	ASP-9521
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HY-19903R-01	ASP-9521 (Standard)
GTR19036130	Asp-Asp-Asp-Asp-Asp-Asp
HY-P0321	Asp-Asp-Asp-Asp-Asp
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