YM 511Potent aromatase (CYP19) inhibitor CAS# 148869-05-0 |
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Chemical structure
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| Cas No. | 148869-05-0 | SDF | Download SDF |
| PubChem ID | 177865 | Appearance | Powder |
| Formula | C16H12BrN5 | M.Wt | 354.2 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | Soluble to 100 mM in DMSO and to 25 mM in ethanol | ||
| Chemical Name | 4-[(4-bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile | ||
| SMILES | C1=CC(=CC=C1CN(C2=CC=C(C=C2)C#N)N3C=NN=C3)Br | ||
| Standard InChIKey | GGPPBTSXFROGAE-UHFFFAOYSA-N | ||
| Standard InChI | InChI=1S/C16H12BrN5/c17-15-5-1-14(2-6-15)10-22(21-11-19-20-12-21)16-7-3-13(9-18)4-8-16/h1-8,11-12H,10H2 | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
| Description | Orally active, potent aromatase (CYP19) inhibitor (IC50 values are 0.4 and 0.12 nM at rat ovary and human placenta cells respectively) that only weakly inhibits the synthesis of other steroid hormones. Reduces plasma estrogen levels into ranges induced by ovariectomy and inhibits testosterone-induced breast cancer cell growth in vitro (IC50 = 0.13 nM). |
YM 511 Dilution Calculator
YM 511 Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 2.8233 mL | 14.1163 mL | 28.2326 mL | 56.4653 mL | 70.5816 mL |
| 5 mM | 0.5647 mL | 2.8233 mL | 5.6465 mL | 11.2931 mL | 14.1163 mL |
| 10 mM | 0.2823 mL | 1.4116 mL | 2.8233 mL | 5.6465 mL | 7.0582 mL |
| 50 mM | 0.0565 mL | 0.2823 mL | 0.5647 mL | 1.1293 mL | 1.4116 mL |
| 100 mM | 0.0282 mL | 0.1412 mL | 0.2823 mL | 0.5647 mL | 0.7058 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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Studies on aromatase inhibitors. I. Synthesis and biological evaluation of 4-amino-4H-1,2,4-triazole derivatives.[Pubmed:8904814]
Chem Pharm Bull (Tokyo). 1996 Oct;44(10):1871-9.
Various 4-N-substituted amino-4H-1,2,4-triazole derivatives were synthesized and evaluated for aromatase-inhibitory activity (in vitro) and for pregnant mare serum gonadotropin (PMSG)-induced estrogen synthesis-inhibitory activity (in vivo). The 4-(4-cyanophenyl) amino derivative and 4-(4-nitrophenyl)amino derivative, each possessing a strong electron-withdrawing group on the phenyl moiety, showed potent aromatase-inhibitory activity. Structure-activity relationship studies indicated that 4-[(4-bromobenzyl)(4-cyanophenyl)amino]-4H-1,2,4-triazole (5k, YM511) is a highly potent aromatase inhibitor with IC50 values of 0.4 and 0.12 nM in in vitro experiments using rat ovary and human placenta, respectively, and an in vivo ED50 of 0.002 mg/kg in rats on oral administration. YM511 was also a weak inhibitor of other steroid hormone synthesis enzymes. These data suggest that YM511 is a highly selective aromatase inhibitor and may be a useful agent for the treatment of estrogen-dependent diseases such as breast cancer.
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