MedKoo Cat#: 206711 | Name: ONC1-13B

Description:

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

ONC1-13B is an antagonist of androgen receptor, with similar to MDV3100 and ARN-509 mechanism of action. ONC1-13B efficiently inhibits DHT-stimulated PSA expression and proliferation of prostate cancer cells, prevents binding of androgens to the AR ligand-binding domain, androgen-stimulated AR nuclear translocation and coactivator complex formation. In the LnCaP-Z2 xenograft model of prostate cancer ONC1-13B inhibits tumor growth and suppresses PSA expression. Thus ONC1-13B is a new promising antiandrogen demonstrating high efficacy in a preclinical model of prostate cancer, with lower potential for seizures and drug-drug interaction.

Chemical Structure

ONC1-13B
ONC1-13B
CAS#None

Theoretical Analysis

MedKoo Cat#: 206711

Name: ONC1-13B

CAS#: None

Chemical Formula: C22H16F4N4O3S

Exact Mass: 492.0879

Molecular Weight: 492.45

Elemental Analysis: C, 53.66; H, 3.28; F, 15.43; N, 11.38; O, 9.75; S, 6.51

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
ONC1-13B; ONC113B; ONC 113B; ONC1-0013B; ONC 10013B; ONC-10013B.
IUPAC/Chemical Name
(R)-4-(3-(4-cyano-3-(trifluoromethyl)phenyl)-4-oxo-2-thioxo-7-oxa-1,3-diazaspiro[4.4]nonan-1-yl)-2-fluoro-N-methylbenzamide
InChi Key
QKKPJFTYJCXESR-OAQYLSRUSA-N
InChi Code
InChI=1S/C22H16F4N4O3S/c1-28-18(31)15-5-4-14(9-17(15)23)30-20(34)29(19(32)21(30)6-7-33-11-21)13-3-2-12(10-27)16(8-13)22(24,25)26/h2-5,8-9H,6-7,11H2,1H3,(H,28,31)/t21-/m1/s1
SMILES Code
FC1=C(C(NC)=O)C=CC(N2[C@@]3(CCOC3)C(N(C4=CC(C(F)(F)F)=C(C#N)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, not in water
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 492.45 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: Ivachtchenko AV, Ivanenkov YA, Mitkin OD, Vorobiev AA, Kuznetsova IV, Shevkun NA, Koryakova AG, Karapetian RN, Trifelenkov AS, Kravchenko DV, Veselov MS, Chufarova NV. Design, synthesis and biological evaluation of novel 5-oxo-2-thioxoimidazolidine derivatives as potent androgen receptor antagonists. Eur J Med Chem. 2015 Jun 24;99:51-66. doi: 10.1016/j.ejmech.2015.05.039. Epub 2015 Jun 2. PubMed PMID: 26046313. 2: Ivachtchenko AV, Mitkin OD, Kudan EV, Rjahovsky AA, Vorobiev AA, Trifelenkov AS, Shevkun NA, Proskurina OV, Kravchenko DV, Karapetian RN. Preclinical Development of ONC1-13B, Novel Antiandrogen for Prostate Cancer Treatment. J Cancer. 2014 Jan 21;5(2):133-42. doi: 10.7150/jca.7773. eCollection 2014. PubMed PMID: 24494031; PubMed Central PMCID: PMC3909768.