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MedKoo Cat#: 413271 | Name: Contragestazol

Description:

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

Contragestazol is a non-hormonal antifertility agent.

Chemical Structure

Contragestazol
CAS#69095-83-6

Theoretical Analysis

MedKoo Cat#: 413271

Name: Contragestazol

CAS#: 69095-83-6

Chemical Formula: C17H17N3O

Exact Mass: 279.1372

Molecular Weight: 279.34

Elemental Analysis: C, 73.10; H, 6.13; N, 15.04; O, 5.73

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
Contragestazol; DL111; DL-111; DL 111
IUPAC/Chemical Name
1H-1,2,4-Triazole, 3-(2-ethylphenyl)-5-(3-methoxyphenyl)-
InChi Key
GXCZZAKPGMYPDJ-UHFFFAOYSA-N
InChi Code
InChI=1S/C17H17N3O/c1-3-12-7-4-5-10-15(12)17-18-16(19-20-17)13-8-6-9-14(11-13)21-2/h4-11H,3H2,1-2H3,(H,18,19,20)
SMILES Code
COC1=CC(C2=NC(C3=CC=CC=C3CC)=NN2)=CC=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
More Info
Solvent mg/mL mM comments
Solubility
Soluble in DMSO 0.0 100.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 279.34 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: Yang B, He QJ, Zhu DY, Lou YJ, Fang RY. Antiproliferative activity of contragestazol (DL111-IT) in murine and human tumor models in vitro and in vivo. Cancer Chemother Pharmacol. 2006 Jan;57(2):268-73. doi: 10.1007/s00280-005-0049-9. Epub 2005 Aug 23. PMID: 16133535. 2: He QJ, Yang B, Lou YJ, Fang RY. Contragestazol (DL111-IT) inhibits proliferation of human androgen-independent prostate cancer cell line PC3 in vitro and in vivo. Asian J Androl. 2005 Dec;7(4):389-93. doi: 10.1111/j.1745-7262.2005.00072.x. PMID: 16281086. 3: Luo WY, Ying Y, Li ZX, Fan CM, Zhou JH, Fang XC. [Pharmacokinetics of contragestazol (DL-111-IT), a new non-steroid antifertility agent in monkeys]. Yao Xue Xue Bao. 1995;30(6):408-11. Chinese. PMID: 7572179. 4: Hu YZ, Yao TW. Induction of diphenytriazol on cytochrome CYP1A. Acta Pharmacol Sin. 2004 Apr;25(4):528-33. PMID: 15066225. 5: Loiarro M, Campo S, Arseni B, Rossi S, D'Alessio V, De Santis R, Sette C, Ruggiero V. Anti-proliferative effect of a triazole derivative (ST1959) on LNCaP human prostate cancer cells through down-regulation of cyclin and androgen receptor expression. Prostate. 2011 Jan 1;71(1):32-41. doi: 10.1002/pros.21219. PMID: 20607765. 6: Campo S, Arseni B, Rossi S, D'Alessio V, Lu R, Ngoje J, Ahl PL, Bonitz S, Mannino R, Di Mitri D, Battistini L, Carminati P, De Santis R, Ruggiero V. Efficacy of a nanocochleate-encapsulated 3,5-diaryl-s-triazole derivative in a murine model of graft-versus-host disease. Transplantation. 2008 Jul 15;86(1):171-5. doi: 10.1097/TP.0b013e31817ba761. PMID: 18622296. 7: Pezzotta A, Mister M, Cravedi P, Azzollini N, Cassis L, Ruggiero V, DeSantis R, Carminati P, Remuzzi G, Noris M. Effect of a novel immunosuppressant, ST1959, on the immune system and renal allograft survival in rats. Transplantation. 2005 Jul 27;80(2):231-6. doi: 10.1097/01.tp.0000165434.89700.a7. PMID: 16041268. 8: Yang B, Zhou HJ, He QJ, Fang RY. Termination of early pregnancy in the mouse, rat and hamster with DL111-IT and RU486. Contraception. 2000 Oct;62(4):211-6. doi: 10.1016/s0010-7824(00)00160-8. PMID: 11137076. 9: He QJ, Yang B, Wang WF, Wu HH, Fang RY. Synergistic effects of DL111-IT in combination with mifepristone and misoprostol on termination of early pregnancy in preclinical studies. Contraception. 2003 Oct;68(4):289-95. doi: 10.1016/s0010-7824(03)00179-3. PMID: 14572893. 10: Galliani G, Assandri A, Gallico L, Luzzani F, Oldani C, Omodei-Salè A, Soffientini A, Lancini G. A new non-hormonal pregnancy-terminating agent. Contraception. 1981 Feb;23(2):163-80. doi: 10.1016/0010-7824(81)90102-5. PMID: 7238042.

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