| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
Methyl-coenzyme M reductase (MCR) – binds to the active site of MCR, oxidizing the Ni(I) cofactor to Ni(II), temporarily inactivating the enzyme [1][2].
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| ln Vitro |
3-NOP demonstrates potent and specific inhibitory activity against methanogenic archaea in vitro. Abrucomstat inhibits the growth of methanogenic archaea when cultured under an atmosphere of hydrogen (80%) and carbon dioxide (20%). It acts as an alternative substrate for methyl-coenzyme M reductase (MCR), leading to the formation of an inactive Ni-alkyl complex, thereby blocking the final biochemical step of methane production. This high specificity implies that it does not inhibit other non-methanogenic microbial populations in the rumen at the designed inhibitory concentrations.
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| ln Vivo |
In beef cattle fed a high-forage diet (45% barley silage, 45% grass hay, 10% concentrate), dietary supplementation of 3-NOP at 150 mg/kg DM decreased ruminal dissolved methane concentration by 53% (P < 0.001) and increased dissolved hydrogen concentration by 780% (P < 0.001) compared to control. However, in situ NDF degradation kinetics of barley silage and grass hay were not substantially altered by 3-NOP supplementation [1].
In dairy calves treated daily with 3-NOP (3 mg/kg body weight) from birth until 14 weeks of age (3 weeks post-weaning), methane emissions (g CH₄/d) were persistently reduced. During the immediate post-weaning period (weeks 11-14) while receiving treatment, methane emissions were 10.4% lower (P < 0.001) in 3-NOP calves compared to controls. This reduction persisted at week 23 (11.9% lower, P < 0.001) and at 57-60 weeks of age (17.5% lower, P = 0.002), despite treatment having ceased at week 14. Methane yield (g CH₄/kg BW) was 9.2% lower in 3-NOP calves during the immediate post-weaning period (P = 0.08) and 8.7% lower at 1 year post-weaning (P = 0.002) [2]. |
| Enzyme Assay |
No enzyme or receptor binding assays for 3-NOP were described in the provided literature. However, the mechanism of action is described: 3-NOP is structurally similar to methyl-coenzyme M and binds preferentially to the active site of methyl-coenzyme M reductase (MCR), oxidizing the Ni(I) cofactor to Ni(II), temporarily inactivating the enzyme [1][2].
Cell-free assays for 3-NOP typically involve the use of purified methyl-coenzyme M reductase (MCR) from methanogens such as Methanothermobacter marburgensis. The protocol generally includes mixing the enzyme in an anaerobic buffer with its substrates, methyl-coenzyme M and coenzyme B. The reaction is initiated by the addition of 3-NOP, and inhibition is assessed by measuring the reduction in methane production via gas chromatography. Alternatively, spectroscopic methods can monitor changes in the MCR active site (cofactor F430) upon interaction with the inhibitor. |
| Cell Assay |
In vitro cellular assays for 3-NOP primarily utilize rumen fluid enrichments from ruminants or specific methanogenic archaea strains. The standard procedure involves culturing the target microorganisms under anaerobic conditions in a defined medium containing suitable carbon and energy sources (e.g., formate, hydrogen, and carbon dioxide). 3-NOP is dissolved in DMSO to prepare stock solutions, which are then added to the cultures after inoculation. Following a defined incubation period (typically 24 to 72 hours), anti-methanogenic activity is evaluated by measuring total gas or methane production, alongside cell density (e.g., OD600) .
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| Animal Protocol |
Animal Protocol: For the beef cattle study, eight ruminally cannulated beef cattle (515 ± 40.5 kg BW) were used in a crossover design with 2 periods and 2 treatments: control (basal diet) and 3-NOP (basal diet supplemented with 3-NOP at 150 mg/kg DM). The basal diet consisted of 45% barley silage, 45% chopped grass hay, and 10% concentrate (DM basis). The 3-NOP supplement (11.1% 3-nitrooxypropanol, 53.3% silica, 35.6% propylene glycol) or carrier (60% silica, 40% propylene glycol) for control was mixed into the total mixed ration daily to reach the target concentration. For in situ incubations, dried ground barley silage and grass hay samples were incubated in the rumen for 0, 4, 12, 24, 36, 48, 96, 120, 216, and 288 h. Dissolved gases were measured in ruminal fluid samples collected on days 17 and 28 at 0 and 3 h relative to feeding [1].
For the dairy calf study, 18 female Holstein and Montbéliarde calves were randomly assigned at birth to either 3-NOP (3 mg 3-NOP/kg BW, n=10 up to week 23, n=9 at week 60) or control (placebo premix containing SiO₂ and propylene glycol only, n=8). The 3-NOP supplement contained 10% 3-NOP diluted in propylene glycol and adsorbed on SiO₂. Both 3-NOP and placebo were mixed with water (300 mg/mL water) and administered daily via oral gavage approximately 2 h after feeding. Treatment was administered from birth (after colostrum consumption) until 14 weeks of age (3 weeks post-weaning). Calves were weaned at week 11 using a step-down method over two weeks. Methane emissions were recorded using the GreenFeed system from weaning (week 11) until week 23, and again at 57-60 weeks of age [2]. |
| ADME/Pharmacokinetics |
The pharmacokinetic profile of Abrucomstat in ruminants indicates limited oral bioavailability, as it is largely metabolized in the rumen. Its primary mode of action is local activity, with minimal absorption into the bloodstream, resulting in a short plasma half-life and low systemic exposure. This pharmacokinetic property is favorable as it restricts the compound's action to the gastrointestinal target site, minimizing residues in systemic tissues and thus reducing the risk of consumer exposure through meat or milk.
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| Toxicity/Toxicokinetics |
No toxicity data for 3-NOP were reported in the provided literature. The studies reported no negative effects on animal growth, average daily gain, pre-weaning concentrate or milk intake, rumen volatile fatty acid profiles, or ruminal ammonia concentration [1][2]. In dairy calves, no adverse effects on body weight or physiological parameters were observed throughout the trial [2].
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| References |
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| Additional Infomation |
3-NOP is an investigational compound that acts as an enzyme inhibitor to decrease ruminal methanogenesis. It is structurally similar to methyl-coenzyme M and can preferentially bind to the active site of methyl-coenzyme M reductase (MCR), oxidizing the Ni(I) cofactor to Ni(II), temporarily inactivating the enzyme. This inhibition of methanogenesis leads to accumulation of molecular hydrogen (H₂) in the rumen [1].
Supplementation of 3-NOP in a high-forage diet decreased ruminal methanogenesis and increased dissolved H₂ concentration but had no negative effects on ruminal fiber degradation and only minor effects on relative abundances of major bacterial taxa (Bacteroidetes, Firmicutes, Fibrobacteres) adhered to forage substrates incubated in the rumen. 3-NOP reduced the α-diversity of the microbial community on forages and decreased the abundance of methanogenic genera such as Methanobrevibacter (for barley silage) and Methanosphaera [1]. Early-life dietary intervention with 3-NOP in dairy calves from birth through weaning to 14 weeks of age resulted in a long-term persistent reduction in methane emissions up to at least 1 year of age, despite treatment cessation. The rumen bacterial, archaeal, and fungal structure differed between control and 3-NOP calves across all weeks. This persistent reduction in methane emissions accounted for an accumulated reduction of approximately 150 kg of CO₂ equivalent not released into the environment by calves in their first year of life [2]. |
| Molecular Formula |
C3H7NO4
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|---|---|
| Molecular Weight |
121.09
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| Exact Mass |
139.048
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| Elemental Analysis |
C, 29.76; H, 5.83; N, 11.57; O, 52.85
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| CAS # |
100502-66-7
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| PubChem CID |
10011893
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| Appearance |
Colorless liquid
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| LogP |
0.2
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
8
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| Complexity |
68.2
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| Defined Atom Stereocenter Count |
0
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| SMILES |
OCCCON(=O)=O
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| InChi Key |
PTMLFFXFTRSBJW-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C3H7NO4/c5-2-1-3-8-4(6)7/h5H,1-3H2
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| Chemical Name |
3-hydroxypropyl nitrate
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| Synonyms |
3-Nitrooxypropanol; 3-NOP; 3 NP compound; RefChem:551402; Abrucomstat; 100502-66-7;
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| 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: ~100 mg/mL (825.8 mM)
H2O: ~100 mg/mL (825.8 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (20.65 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 (20.65 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 | 8.2583 mL | 41.2916 mL | 82.5832 mL | |
| 5 mM | 1.6517 mL | 8.2583 mL | 16.5166 mL | |
| 10 mM | 0.8258 mL | 4.1292 mL | 8.2583 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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