BAY1128688 | AKR1C3 inhibitor

MedKoo Cat#: 124283 | Name: BAY1128688

Description:

WARNING: This product is for research use only, not for human or veterinary use.

BAY1128688 is a AKR1C3 inhibitor with IC50 = 1.8 nM.

Chemical Structure

BAY1128688

CAS#N/A

Theoretical Analysis

MedKoo Cat#: 124283

Name: BAY1128688

CAS#: N/A

Chemical Formula: C28H31FN2O3

Exact Mass: 462.2300

Molecular Weight: 462.57

Elemental Analysis: C, 72.70; H, 6.76; F, 4.11; N, 6.06; O, 10.38

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

Synonym

BAY1128688; BAY-1128688; BAY 1128688

IUPAC/Chemical Name

3-((8S,9S,13S,14S)-17-(5-fluoropyridin-3-yl)-N,13-dimethyl-7,8,9,11,12,13,14,15-octahydro-6H-cyclopenta[a]phenanthrene-3-carboxamido)propanoic acid

InChi Key

JFRWOHRGXFCADF-XVTSZCMISA-N

InChi Code

InChI=1S/C28H31FN2O3/c1-28-11-9-22-21-5-4-18(27(34)31(2)12-10-26(32)33)13-17(21)3-6-23(22)25(28)8-7-24(28)19-14-20(29)16-30-15-19/h4-5,7,13-16,22-23,25H,3,6,8-12H2,1-2H3,(H,32,33)/t22-,23-,25+,28-/m1/s1

SMILES Code

CN(C(C1=CC(CC[C@]2([H])[C@]3([H])CC[C@@]4(C)[C@@]2([H])CC=C4C5=CC(F)=CN=C5)=C3C=C1)=O)CCC(O)=O

Appearance

To be determined

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 462.57 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Hilpert J, Groettrup-Wolfers E, Kosturski H, Bennett L, Barnes CLK, Gude K, Gashaw I, Reif S, Steger-Hartmann T, Scheerans C, Solms A, Rottmann A, Mao G, Chapron C. Hepatotoxicity of AKR1C3 Inhibitor BAY1128688: Findings from an Early Terminated Phase IIa Trial for the Treatment of Endometriosis. Drugs R D. 2023 Jul 9. doi: 10.1007/s40268-023-00427-5. Epub ahead of print. PMID: 37422772. 2: Rižner TL, Penning TM. Aldo-keto reductase 1C3-Assessment as a new target for the treatment of endometriosis. Pharmacol Res. 2020 Feb;152:104446. doi: 10.1016/j.phrs.2019.104446. Epub 2019 Sep 20. PMID: 31546014. 3: Gashaw I, Reif S, Wiesinger H, Kaiser A, Zollmann FS, Scheerans C, Grevel J, Piraino P, Seidel H, Peters M, Rottmann A, Rohde B, Arlt W, Hilpert J. Novel aldo-keto reductase 1C3 inhibitor affects androgen metabolism but not ovarian function in healthy women: a phase 1 study. Eur J Endocrinol. 2023 Jul 10;188(7):578-591. doi: 10.1093/ejendo/lvad063. PMID: 37306288.