Cas no 1172405-66-1 (methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate)
methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate Chemical and Physical Properties
Names and Identifiers
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- methyl 1-[1-(ethoxycarbonyl)propyl]-1H-pyrazole-3-carboxylate
- methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate
- AKOS005167776
- EN300-231314
- methyl1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate
- STK351666
- methyl 1-(1-ethoxy-1-oxobutan-2-yl)pyrazole-3-carboxylate
- 1172405-66-1
-
- MDL: MFCD09473431
- Inchi: 1S/C11H16N2O4/c1-4-9(11(15)17-5-2)13-7-6-8(12-13)10(14)16-3/h6-7,9H,4-5H2,1-3H3
- InChI Key: VFMNAGLGPSBVET-UHFFFAOYSA-N
- SMILES: O(CC)C(C(CC)N1C=CC(C(=O)OC)=N1)=O
Computed Properties
- Exact Mass: 240.11100700Da
- Monoisotopic Mass: 240.11100700Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 283
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 70.4?2
methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB500872-100 mg |
Methyl 1-[1-(ethoxycarbonyl)propyl]-1H-pyrazole-3-carboxylate |
1172405-66-1 | 100MG |
€231.60 | 2022-03-01 | ||
| abcr | AB500872-250 mg |
Methyl 1-[1-(ethoxycarbonyl)propyl]-1H-pyrazole-3-carboxylate |
1172405-66-1 | 250MG |
€275.80 | 2022-03-01 | ||
| abcr | AB500872-500 mg |
Methyl 1-[1-(ethoxycarbonyl)propyl]-1H-pyrazole-3-carboxylate |
1172405-66-1 | 500MG |
€409.30 | 2022-03-01 | ||
| abcr | AB500872-1 g |
Methyl 1-[1-(ethoxycarbonyl)propyl]-1H-pyrazole-3-carboxylate |
1172405-66-1 | 1g |
€486.60 | 2022-03-01 | ||
| abcr | AB500872-5 g |
Methyl 1-[1-(ethoxycarbonyl)propyl]-1H-pyrazole-3-carboxylate |
1172405-66-1 | 5g |
€1,185.30 | 2022-03-01 | ||
| Chemenu | CM487301-1g |
Methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate |
1172405-66-1 | 97% | 1g |
$262 | 2022-06-14 | |
| Chemenu | CM487301-5g |
Methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate |
1172405-66-1 | 97% | 5g |
$779 | 2022-06-14 | |
| Enamine | EN300-231314-0.05g |
methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate |
1172405-66-1 | 95% | 0.05g |
$88.0 | 2024-06-20 | |
| Enamine | EN300-231314-0.1g |
methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate |
1172405-66-1 | 95% | 0.1g |
$132.0 | 2024-06-20 | |
| Enamine | EN300-231314-0.25g |
methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate |
1172405-66-1 | 95% | 0.25g |
$188.0 | 2024-06-20 |
methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
Additional information on methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate
Methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate (CAS No. 1172405-66-1): An Overview
Methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate (CAS No. 1172405-66-1) is a versatile compound that has garnered significant attention in the fields of organic chemistry, medicinal chemistry, and pharmaceutical research. This compound, often referred to as MEOPC, is characterized by its unique pyrazole core and ester functional group, which contribute to its diverse chemical and biological properties.
The chemical structure of methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate consists of a pyrazole ring attached to a methyl ester group and a substituted butanoyl moiety. The pyrazole ring, a five-membered heterocycle with two nitrogen atoms, is known for its biological activity and has been widely studied in the development of various pharmaceuticals. The ester functionality, on the other hand, can be readily hydrolyzed under physiological conditions, making it an attractive candidate for prodrug design.
Recent research has highlighted the potential of MEOPC in several therapeutic areas. One notable application is in the field of anti-inflammatory drugs. Studies have shown that compounds with a similar structure exhibit potent anti-inflammatory effects by inhibiting key enzymes involved in the inflammatory pathway, such as cyclooxygenase (COX) and lipoxygenase (LOX). This makes methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate a promising lead compound for the development of new anti-inflammatory agents.
In addition to its anti-inflammatory properties, MEOPC has also been investigated for its potential as an anticancer agent. Research has demonstrated that certain pyrazole derivatives can induce apoptosis in cancer cells by targeting specific signaling pathways. The presence of the ester group in methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate may enhance its cellular uptake and metabolic stability, further enhancing its therapeutic efficacy.
The synthetic route to methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate involves several well-established organic reactions. Typically, the synthesis begins with the formation of the pyrazole ring through a cyclocondensation reaction between an appropriate hydrazine and an α-ketoester. Subsequent functionalization steps, including esterification and alkylation, yield the final product. The modular nature of this synthetic pathway allows for easy modification of the substituents on the pyrazole ring, enabling the exploration of a wide range of analogs with varying biological activities.
The physicochemical properties of methyl 1-(1-ethoxy-1-oxobutan-2-yl)-1H-pyrazole-3-carboxylate have been extensively studied to understand its behavior in different environments. It is generally soluble in common organic solvents such as methanol, ethanol, and dimethyl sulfoxide (DMSO), but exhibits limited solubility in water. This solubility profile can be advantageous in formulating drug delivery systems that require controlled release or targeted delivery.
In terms of safety and toxicity, preliminary studies have indicated that MEOPC is well-tolerated at therapeutic doses. However, as with any new chemical entity, comprehensive safety assessments are essential before advancing to clinical trials. These assessments typically include in vitro cytotoxicity studies, genotoxicity tests, and animal models to evaluate potential adverse effects.
The future prospects for methyl 1-(1-ethoxy-1-oxobutan-2-y l)-1H-pyrazole -3-carboxylate are promising. Ongoing research is focused on optimizing its pharmacological properties through structure-based drug design and high-throughput screening techniques. Additionally, efforts are being made to develop novel formulations that can improve its bioavailability and reduce side effects.
In conclusion, methyl 1-(1 -ethoxy - 1 - oxo butan - 2 - yl) - 1 H - pyrazol e - 3 - car boxyla te (CAS No. 1 72405 -66 - 7) represents a valuable compound with significant potential in various therapeutic applications. Its unique chemical structure and favorable biological properties make it an attractive target for further research and development in the pharmaceutical industry.
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