WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 206711
CAS#: None
Description: 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.
MedKoo Cat#: 206711
Name: ONC1-13B
CAS#: None
Chemical Formula: C22H16F4N4O3S
Exact Mass: 492.0879
Molecular Weight: 492.4486
Elemental Analysis: C, 53.66; H, 3.28; F, 15.43; N, 11.38; O, 9.75; S, 6.51
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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
The following data is based on the product molecular weight 492.4486 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: 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.
