Abrucomstat
Based on 1 publication(s) in Google Scholar
Abrucomstat (3-Nitroxypropanol) is an orally active methyl coenzyme M reductase inhibitor. Abrucomstat decreases ruminal methanogenesis.
For research use only. We do not sell to patients.
- Purity: 95.0%
- CAS No.: 100502-66-7
- Formula: C3H7NO4
- Molecular Weight:121.09
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Storage:Pure form -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
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Publications Citing Use of MedChemExpress (MCE) Abrucomstat
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Biological Activity
Methyl Coenzyme M Reductase[1]
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| HepG2 | IC50 |
110.98 μM
Compound: HO(CH2)3ONO2
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Growth inhibition of human HepG2 cells after 24 hrs by MTT assay
Growth inhibition of human HepG2 cells after 24 hrs by MTT assay
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[PMID: 29609121] |
| MCF7 | IC50 |
>200 μM
Compound: HO(CH2)3ONO2
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Growth inhibition of human MCF7 cells after 24 hrs by MTT assay
Growth inhibition of human MCF7 cells after 24 hrs by MTT assay
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[PMID: 29609121] |
| MDA-MB-231 | IC50 |
>200 μM
Compound: HO(CH2)3ONO2
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Growth inhibition of human MDA-MB-231 cells after 24 hrs by MTT assay
Growth inhibition of human MDA-MB-231 cells after 24 hrs by MTT assay
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[PMID: 29609121] |
Abrucomstat (3 mg/kg, i.g., daily, 14 weeks) reduces methane emissions in calves[2].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 100502-66-7
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Appearance Liquid (Density: 1.278±0.06 g/cm3)
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Molecular Weight 121.09
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Formula C3H7NO4
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Color Colorless to light yellow
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SMILES
OCCCO[N+]([O-])=O
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Synonyms
3-Nitroxypropanol; 3-NOP
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Pure form -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Publications (1)
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Journal Impact Factor
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Most Recent
Solvent & Solubility
DMSO : 100 mg/mL (825.83 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
H2O : 100 mg/mL (825.83 mM; Need ultrasonic)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (20.65 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Working solution concentration: 0.22 mg/mL
This product has good water solubility, please refer to the measured solubility data in water/PBS/Saline for details.
Purity & Documentation
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Data Sheet (270 KB)
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SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Korean - KR (393 KB)
- Portuguese - PT (393 KB)
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Handling Instructions (2659 KB)
References
[1]. Zhang XM, et al. 3-Nitrooxypropanol supplementation had little effect on fiber degradation and microbial colonization of forage particles when evaluated using the in situ ruminal incubation technique. J Dairy Sci. 2020 Oct;103(10):8986-8997. [Content Brief]
[2]. Meale SJ, et al. Early life dietary intervention in dairy calves results in a long-term reduction in methane emissions. Sci Rep. 2021 Feb 4;11(1):3003. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO / H2O | 1 mM | 8.2583 mL | 41.2916 mL | 82.5832 mL | 206.4580 mL |
| 5 mM | 1.6517 mL | 8.2583 mL | 16.5166 mL | 41.2916 mL | |
| 10 mM | 0.8258 mL | 4.1292 mL | 8.2583 mL | 20.6458 mL | |
| 15 mM | 0.5506 mL | 2.7528 mL | 5.5055 mL | 13.7639 mL | |
| 20 mM | 0.4129 mL | 2.0646 mL | 4.1292 mL | 10.3229 mL | |
| 25 mM | 0.3303 mL | 1.6517 mL | 3.3033 mL | 8.2583 mL | |
| 30 mM | 0.2753 mL | 1.3764 mL | 2.7528 mL | 6.8819 mL | |
| 40 mM | 0.2065 mL | 1.0323 mL | 2.0646 mL | 5.1615 mL | |
| 50 mM | 0.1652 mL | 0.8258 mL | 1.6517 mL | 4.1292 mL | |
| 60 mM | 0.1376 mL | 0.6882 mL | 1.3764 mL | 3.4410 mL | |
| 80 mM | 0.1032 mL | 0.5161 mL | 1.0323 mL | 2.5807 mL | |
| 100 mM | 0.0826 mL | 0.4129 mL | 0.8258 mL | 2.0646 mL |
* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.
Abrucomstat Related Classifications
HY-139566 Related Classifications
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