| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| Other Sizes |
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| ADME/Pharmacokinetics |
Metabolism / Metabolites
2-Methoxyestrone has known human metabolites that include (8R,9S,13S,14S)-2-Methoxy-13-methyl-3-[(2R,3R,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]oxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one. 2-Methoxyestrone is a known human metabolite of 2-hydroxyestrone. |
|---|---|
| References | |
| Additional Infomation |
2-methoxyestrone is a 17-oxo steroid that is estrone in which the hydrogen at position 2 has been replaced by a methoxy group. It has a role as a human metabolite and a mouse metabolite. It is a 3-hydroxy steroid, a 17-oxo steroid, an alicyclic ketone, a member of phenols, an aromatic ether and a phenolic steroid. It is functionally related to an estrone.
2-Methoxyestrone is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). 2-Methoxyestrone has been reported in Homo sapiens with data available. 2-Methoxyestrone is a metabolite formed during the methylation of 2-hydroxyestrone (2-OHE1) by catechol-O-methyltransferase (COMT), with potential anticarcinogenic and minimal estrogen activities. The mechanism of action for the antitumor activity of 2-methoxyestrone (2-OMeE1) is not known. A high 2-methoxyestrone (2-OMeE1)/2-OHE1 ratio indicates higher methylation efficiency and correlates with a lower cancer risk. |
| Molecular Formula |
C19H24O3
|
|---|---|
| Molecular Weight |
300.39206
|
| Exact Mass |
300.172
|
| CAS # |
362-08-3
|
| Related CAS # |
2-Methoxyestrone-d4;949885-90-9;2-Methoxyestrone-13C,d3;1217460-84-8;2-Methoxyestrone-13C6
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| PubChem CID |
440624
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
463.5±45.0 °C at 760 mmHg
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| Melting Point |
187.0 - 189.5 °C
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| Flash Point |
165.9±22.2 °C
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| Vapour Pressure |
0.0±1.2 mmHg at 25°C
|
| Index of Refraction |
1.576
|
| LogP |
3.39
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
22
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| Complexity |
462
|
| Defined Atom Stereocenter Count |
4
|
| SMILES |
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)OC)O
|
| InChi Key |
WHEUWNKSCXYKBU-QPWUGHHJSA-N
|
| InChi Code |
InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1
|
| Chemical Name |
(8R,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
|
| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~50 mg/mL (~166.45 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.32 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (8.32 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.3290 mL | 16.6450 mL | 33.2901 mL | |
| 5 mM | 0.6658 mL | 3.3290 mL | 6.6580 mL | |
| 10 mM | 0.3329 mL | 1.6645 mL | 3.3290 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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