Contragestazol

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

MedKoo CAT#: 413271

CAS#: 69095-83-6

Description: Contragestazol is a non-hormonal antifertility agent.

Chemical Structure

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Contragestazol
CAS# 69095-83-6
Instruction

Theoretical Analysis

MedKoo Cat#: 413271
Name: Contragestazol
CAS#: 69095-83-6
Chemical Formula: C17H17N3O
Exact Mass: 279.14
Molecular Weight: 279.340
Elemental Analysis: C, 73.10; H, 6.13; N, 15.04; O, 5.73

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

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:

Biological target:
In vitro activity:
In vivo activity:

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
Soluble in DMSO 0.0 100.00

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.