MedKoo Cat#: 575790 | Name: Abrucomstat
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Description:

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

Abrucomstat is is an inhibitor of the enzyme methyl coenzyme M reductase (MCR). MCR catalyzes the final step in methanogenesis. 3-nitrooxypropanol specifically targets the methyl-coenzyme M reductase and inhibits the final catalytic step in methanogenesis in rumen archaea. Providing 3-nitrooxypropanol to dairy and beef cattle in research studies has consistently decreased enteric CH4 production by 30% on average, with reductions as high as 82% in some cases. Efficacy is positively related to 3-NOP dose and negatively affected by neutral detergent fiber concentration of the diet, with greater responses in dairy compared with beef cattle when compared at the same dose.

Chemical Structure

Abrucomstat
Abrucomstat
CAS#100502-66-7

Theoretical Analysis

MedKoo Cat#: 575790

Name: Abrucomstat

CAS#: 100502-66-7

Chemical Formula: C3H7NO4

Exact Mass: 121.0375

Molecular Weight: 121.09

Elemental Analysis: C, 29.76; H, 5.83; N, 11.57; O, 52.85

Price and Availability

Size Price Availability Quantity
10mg USD 350.00 2 Weeks
100mg USD 950.00 2 Weeks
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Related CAS #
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Synonym
Abrucomstat; 3-Nitroxypropanol; 3-NOP;
IUPAC/Chemical Name
3-hydroxypropyl nitrate
InChi Key
PTMLFFXFTRSBJW-UHFFFAOYSA-N
InChi Code
InChI=1S/C3H7NO4/c5-2-1-3-8-4(6)7/h5H,1-3H2
SMILES Code
O=[N+]([O-])OCCCO
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
Methane (CH4) from enteric fermentation accounts for 3 to 5% of global anthropogenic greenhouse gas emissions, which contribute to climate change. Cost-effective strategies are needed to reduce feed energy losses as enteric CH4 while improving ruminant production efficiency. Mitigation strategies need to be environmentally friendly, easily adopted by producers and accepted by consumers. However, few sustainable CH4 mitigation approaches are available. Recent studies show that the chemically synthesized CH4 inhibitor 3-nitrooxypropanol is one of the most effective approaches for enteric CH4 abatement

Preparing Stock Solutions

The following data is based on the product molecular weight 121.09 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
1: Lokuge GMS, Larsen MK, Maigaard M, Wiking L, Larsen LB, Lund P, Poulsen NA. Effects of feeding whole-cracked rapeseeds, nitrate, and 3-nitrooxypropanol on protein composition, minerals, and vitamin B in milk from Danish Holstein cows. J Dairy Sci. 2024 Apr 3:S0022-0302(24)00642-8. doi: 10.3168/jds.2023-24372. Epub ahead of print. PMID: 38580150. 2: Lokuge GMS, Kaysen C, Maigaard M, Lund P, Wiking L, Poulsen NA. Effects of feeding whole-cracked rapeseeds, nitrate, and 3-nitrooxypropanol on composition and functional properties of the milk fat fraction from Danish Holstein cows. J Dairy Sci. 2024 Mar 13:S0022-0302(24)00543-5. doi: 10.3168/jds.2024-23980. Epub ahead of print. PMID: 38490556. 3: Pepeta BN, Hassen A, Tesfamariam EH. Quantifying the Impact of Different Dietary Rumen Modulating Strategies on Enteric Methane Emission and Productivity in Ruminant Livestock: A Meta-Analysis. Animals (Basel). 2024 Feb 29;14(5):763. doi: 10.3390/ani14050763. PMID: 38473148; PMCID: PMC10931330. 4: Hodge I, Quille P, O'Connell S. A Review of Potential Feed Additives Intended for Carbon Footprint Reduction through Methane Abatement in Dairy Cattle. Animals (Basel). 2024 Feb 8;14(4):568. doi: 10.3390/ani14040568. PMID: 38396536; PMCID: PMC10885959. 5: van Gastelen S, Burgers EEA, Dijkstra J, de Mol R, Muizelaar W, Walker N, Bannink A. Long-term effects of 3-nitrooxypropanol on methane emission and milk production characteristics in Holstein Friesian dairy cows. J Dairy Sci. 2024 Feb 21:S0022-0302(24)00500-9. doi: 10.3168/jds.2023-24198. Epub ahead of print. PMID: 38395398. 6: Kirwan SF, Tamassia LFM, Walker ND, Karagiannis A, Kindermann M, Waters SM. Effects of dietary supplementation with 3-nitrooxypropanol on enteric methane production, rumen fermentation, and performance in young growing beef cattle offered a 50:50 forage:concentrate diet. J Anim Sci. 2024 Jan 3;102:skad399. doi: 10.1093/jas/skad399. PMID: 38038711. 7: Kjeldsen MH, Weisbjerg MR, Larsen M, Højberg O, Ohlsson C, Walker N, Hellwing ALF, Lund P. Gas exchange, rumen hydrogen sinks, and nutrient digestibility and metabolism in lactating dairy cows fed 3-nitrooxypropanol and cracked rapeseed. J Dairy Sci. 2024 Apr;107(4):2047-2065. doi: 10.3168/jds.2023-23743. Epub 2023 Oct 19. PMID: 37863291. 8: Maigaard M, Weisbjerg MR, Johansen M, Walker N, Ohlsson C, Lund P. Effects of dietary fat, nitrate, and 3-nitrooxypropanol and their combinations on methane emission, feed intake, and milk production in dairy cows. J Dairy Sci. 2024 Jan;107(1):220-241. doi: 10.3168/jds.2023-23420. Epub 2023 Sep 9. PMID: 37690719. 9: Almeida AK, Cowley F, McMeniman JP, Karagiannis A, Walker N, Tamassia LFM, McGrath JJ, Hegarty RS. Effect of 3-nitrooxypropanol on enteric methane emissions of feedlot cattle fed with a tempered barley-based diet with canola oil. J Anim Sci. 2023 Jan 3;101:skad237. doi: 10.1093/jas/skad237. PMID: 37429613; PMCID: PMC10370881. 10: Araújo TLR, Rabelo CHS, Cardoso AS, Carvalho VV, Acedo TS, Tamassia LFM, Vasconcelos GSFM, Duval SM, Kindermann M, Gouvea VN, Fernandes MHMR, Reis RA. Feeding 3-nitrooxypropanol reduces methane emissions by feedlot cattle on tropical conditions. J Anim Sci. 2023 Jan 3;101:skad225. doi: 10.1093/jas/skad225. PMID: 37402612; PMCID: PMC10358221. 11: Alemu AW, Gruninger RJ, Zhang XM, O'Hara E, Kindermann M, Beauchemin KA. 3-Nitrooxypropanol supplementation of a forage diet decreased enteric methane emissions from beef cattle without affecting feed intake and apparent total- tract digestibility. J Anim Sci. 2023 Jan 3;101:skad001. doi: 10.1093/jas/skad001. PMID: 36617172; PMCID: PMC9904186. 12: Kebreab E, Bannink A, Pressman EM, Walker N, Karagiannis A, van Gastelen S, Dijkstra J. A meta-analysis of effects of 3-nitrooxypropanol on methane production, yield, and intensity in dairy cattle. J Dairy Sci. 2023 Feb;106(2):927-936. doi: 10.3168/jds.2022-22211. Epub 2022 Dec 7. PMID: 36494226; PMCID: PMC9868067. 13: Liu Z, Wang K, Nan X, Yang L, Wang Y, Zhang F, Cai M, Zhao Y, Xiong B. Effects of combined addition of 3-nitrooxypropanol and vitamin B12 on methane and propionate production in dairy cows by in vitro-simulated fermentation. J Dairy Sci. 2023 Jan;106(1):219-232. doi: 10.3168/jds.2022-22207. Epub 2022 Nov 7. PMID: 36357205. 14: Caprarulo V, Ventura V, Amatucci A, Ferronato G, Gilioli G. Innovations for Reducing Methane Emissions in Livestock toward a Sustainable System: Analysis of Feed Additive Patents in Ruminants. Animals (Basel). 2022 Oct 14;12(20):2760. doi: 10.3390/ani12202760. PMID: 36290145; PMCID: PMC9597792. 15: Pitta DW, Indugu N, Melgar A, Hristov A, Challa K, Vecchiarelli B, Hennessy M, Narayan K, Duval S, Kindermann M, Walker N. The effect of 3-nitrooxypropanol, a potent methane inhibitor, on ruminal microbial gene expression profiles in dairy cows. Microbiome. 2022 Sep 13;10(1):146. doi: 10.1186/s40168-022-01341-9. PMID: 36100950; PMCID: PMC9469553. 16: Hristov AN, Melgar A, Wasson D, Arndt C. Symposium review: Effective nutritional strategies to mitigate enteric methane in dairy cattle. J Dairy Sci. 2022 Oct;105(10):8543-8557. doi: 10.3168/jds.2021-21398. Epub 2022 Jul 19. PMID: 35863922. 17: Garcia F, Muñoz C, Martínez-Ferrer J, Urrutia NL, Martínez ED, Saldivia M, Immig I, Kindermann M, Walker N, Ungerfeld EM. 3-Nitrooxypropanol substantially decreased enteric methane emissions of dairy cows fed true protein- or urea- containing diets. Heliyon. 2022 Jun 16;8(6):e09738. doi: 10.1016/j.heliyon.2022.e09738. PMID: 35770150; PMCID: PMC9234604. 18: Gruninger RJ, Zhang XM, Smith ML, Kung L Jr, Vyas D, McGinn SM, Kindermann M, Wang M, Tan ZL, Beauchemin KA. Application of 3-nitrooxypropanol and canola oil to mitigate enteric methane emissions of beef cattle results in distinctly different effects on the rumen microbial community. Anim Microbiome. 2022 May 31;4(1):35. doi: 10.1186/s42523-022-00179-8. PMID: 35642048; PMCID: PMC9158287. 19: Fouts JQ, Honan MC, Roque BM, Tricarico JM, Kebreab E. Enteric methane mitigation interventions. Transl Anim Sci. 2022 Apr 8;6(2):txac041. doi: 10.1093/tas/txac041. PMID: 35529040; PMCID: PMC9071062. 20: Uddin ME, Tricarico JM, Kebreab E. Impact of nitrate and 3-nitrooxypropanol on the carbon footprints of milk from cattle produced in confined-feeding systems across regions in the United States: A life cycle analysis. J Dairy Sci. 2022 Jun;105(6):5074-5083. doi: 10.3168/jds.2021-20988. Epub 2022 Mar 26. PMID: 35346477.