MedKoo Cat#: 462278 | Name: N-Desmethyl Apalutamide

Description:

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

N-Desmethyl Apalutamide is an active metabolite of Apalutamide. N-Desmethyl Apalutamide is a less potent antagonist of the androgen receptor and is responsible for one-third of the activity of Apalutamide. The formation of N-Desmethyl Apalutamide mediated predominantly by CYP2C8 and CYP3A4. N-Desmethyl Apalutamide is moderate to strong CYP3A4 and CYP2B6 inducer and has an excellent plasma-proteins bound concentration.

Chemical Structure

N-Desmethyl Apalutamide
N-Desmethyl Apalutamide
CAS#1332391-11-3

Theoretical Analysis

MedKoo Cat#: 462278

Name: N-Desmethyl Apalutamide

CAS#: 1332391-11-3

Chemical Formula: C20H13F4N5O2S

Exact Mass: 463.0726

Molecular Weight: 463.41

Elemental Analysis: C, 51.84; H, 2.83; F, 16.40; N, 15.11; O, 6.90; S, 6.92

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.
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Related CAS #
No Data
Synonym
N-Desmethyl Apalutamide
IUPAC/Chemical Name
4-(7-(6-cyano-5-(trifluoromethyl)pyridin-3-yl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl)-2-fluorobenzamide
InChi Key
BAANHOAPFBHUDX-UHFFFAOYSA-N
InChi Code
InChI=1S/C20H13F4N5O2S/c21-14-7-10(2-3-12(14)16(26)30)29-18(32)28(17(31)19(29)4-1-5-19)11-6-13(20(22,23)24)15(8-25)27-9-11/h2-3,6-7,9H,1,4-5H2,(H2,26,30)
SMILES Code
FC(F)(F)C1=C(C#N)N=CC(N2C(C3(CCC3)N(C4=CC(F)=C(C(N)=O)C=C4)C2=S)=O)=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
>3 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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 463.41 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
1: Pérez-Ruixo C, Pérez-Blanco JS, Chien C, et al. Population Pharmacokinetics of Apalutamide and its Active Metabolite N-Desmethyl-Apalutamide in Healthy and Castration-Resistant Prostate Cancer Subjects. Clin Pharmacokinet. 2020;59(2):229-244. doi:10.1007/s40262-019-00808-7 2: Smith MR, Antonarakis ES, Ryan CJ, et al. Phase 2 Study of the Safety and Antitumor Activity of Apalutamide (ARN-509), a Potent Androgen Receptor Antagonist, in the High-risk Nonmetastatic Castration-resistant Prostate Cancer Cohort. Eur Urol. 2016;70(6):963-970. doi:10.1016/j.eururo.2016.04.023 3: May MB, Glode AE. Apalutamide: A new agent in the management of prostate cancer. J Oncol Pharm Pract. 2019;25(8):1968-1978. doi:10.1177/1078155219864424