Ketodarolutamide
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MedKoo CAT#: 555933

CAS#: 1297537-33-7

Description: Ketodarolutamide., also known as ORM-15341 and BAY-1896953, is a potent and full antagonist for human AR (hAR) with IC50 = 38 nM. Ketodarolutamide is a nonsteroidal antiandrogen (NSAA) and the major active metabolite of darolutamide (ODM-201, BAY-1841788), an NSAA which is used in the treatment of prostate cancer in men. Similarly to its parent compound, darolutamide acts as a highly selective, high-affinity, competitive silent antagonist of the androgen receptor (AR). Both agents show much higher affinity and more potent inhibition of the AR relative to the other NSAAs enzalutamide and apalutamide, although they also possess much shorter and comparatively less favorable elimination half-lives.


Chemical Structure

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Ketodarolutamide
CAS# 1297537-33-7

Theoretical Analysis

MedKoo Cat#: 555933
Name: Ketodarolutamide
CAS#: 1297537-33-7
Chemical Formula: C19H17ClN6O2
Exact Mass: 396.1102
Molecular Weight: 396.835
Elemental Analysis: C, 57.51; H, 4.32; Cl, 8.93; N, 21.18; O, 8.06

Price and Availability

Size Price Availability Quantity
10.0mg USD 90.0 2 Weeks
25.0mg USD 190.0 2 Weeks
50.0mg USD 350.0 2 Weeks
100.0mg USD 550.0 2 Weeks
200.0mg USD 950.0 2 Weeks
500.0mg USD 1650.0 2 Weeks
1.0g USD 2650.0 2 Weeks
2.0g USD 4650.0 2 Weeks
5.0g USD 7450.0 2 Weeks
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Related CAS #: 1297537-33-7    

Synonym: BAY-1896953; BAY 1896953; BAY1896953; ORM-15341; ORM 15341; ORM15341; Ketodarolutamide;

IUPAC/Chemical Name: (S)-5-acetyl-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)propan-2-yl)-1H-pyrazole-3-carboxamide

InChi Key: GMBPVBVTPBWIKC-NSHDSACASA-N

InChi Code: InChI=1S/C19H17ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-/m0/s1

SMILES Code: ClC1=C(C#N)C=CC(C2=NN(C[C@H](C)NC(C3=NNC(C(C)=O)=C3)=O)C=C2)=C1

Appearance: Solid powder

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: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

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

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 100.0 252.0

Preparing Stock Solutions

The following data is based on the product molecular weight 396.835 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.

Recalculate based on batch purity %
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

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1: Saini NK, Gabani BB, Todmal U, Sulochana SP, Kiran V, Zainuddin M, Balaji N, Polina SB, Srinivas NR, Mullangi R. Pharmacokinetics of Darolutamide in Mouse - Assessment of the Disposition of the Diastereomers, Key Active Metabolite and Interconversion Phenomenon: Implications to Cancer Patients. Drug Metab Lett. 2020 May 20. doi: 10.2174/1872312814666200521091236. Epub ahead of print. PMID: 32436836.

2: Zakkula A, Kiran V, Todmal U, Sulochana SP, Mullangi R. RP-HPLC-UV Method for Simultaneous Quantification of Second Generation Non-Steroidal Antiandrogens Along with their Active Metabolites in Mice Plasma: Application to a Pharmacokinetic Study. Drug Res (Stuttg). 2019 Oct;69(10):537-544. doi: 10.1055/a-0790-8309. Epub 2018 Dec 10. PMID: 30536259.

3: Sulochana SP, Saini NK, Daram P, Polina SB, Mullangi R. Validation of an LC- MS/MS method for simultaneous quantitation of enzalutamide, N-desmethylenzalutamide, apalutamide, darolutamide and ORM-15341 in mice plasma and its application to a mice pharmacokinetic study. J Pharm Biomed Anal. 2018 Jul 15;156:170-180. doi: 10.1016/j.jpba.2018.04.038. Epub 2018 Apr 24. PMID: 29709784.

4: Balaji N, Sulochana SP, Saini NK, A SK, Mullangi R. Validated Chiral LC-ESI- MS/MS Method for the Simultaneous Quantification of Darolutamide Diastereomers and Its Active Metabolite in Mice Plasma: Application to a Pharmacokinetic Study. Drug Res (Stuttg). 2018 Nov;68(11):615-624. doi: 10.1055/a-0580-7218. Epub 2018 Mar 20. PMID: 29558780.

5: Dittakavi S, Nagasuri PKVSP, Sulochana SP, Saim SM, Mallurwar SR, Zainuddin M, Dewang P, Rajagopal S, Mullangi R. LC-MS/MS-ESI method for simultaneous quantification of darolutamide and its active metabolite, ORM-15341 in mice plasma and its application to a pharmacokinetic study. J Pharm Biomed Anal. 2017 Oct 25;145:454-461. doi: 10.1016/j.jpba.2017.06.074. Epub 2017 Jul 13. PMID: 28743076.