Cas no 874338-90-6 (Benzoic acid, 3-(6-amino-3-pyridazinyl)methyl-, methylester)
Benzoic acid, 3-(6-amino-3-pyridazinyl)methyl-, methylester Chemical and Physical Properties
Names and Identifiers
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- 3-[(6-Amino-3-pyridazinyl)methyl]benzoic acid methyl ester
- methyl 3-[(6-aminopyridazin-3-yl)methyl]benzoate
- 874338-90-6
- Methyl 3-((6-aminopyridazin-3-yl)methyl)benzoate
- FT-0725016
- benzoic acid,3-((6-amino-3-pyridazinyl)methyl)-,methyl ester
- DTXSID80469378
- Methyl3-((6-aminopyridazin-3-yl)methyl)benzoate
- Benzoic acid, 3-(6-amino-3-pyridazinyl)methyl-, methylester
-
- Inchi: 1S/C13H13N3O2/c1-18-13(17)10-4-2-3-9(7-10)8-11-5-6-12(14)16-15-11/h2-7H,8H2,1H3,(H2,14,16)
- InChI Key: FHLKSWUAONZQMA-UHFFFAOYSA-N
- SMILES: O(C)C(C1=CC=CC(=C1)CC1=CC=C(N)N=N1)=O
Computed Properties
- Exact Mass: 243.10100
- Monoisotopic Mass: 243.100776666g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 285
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 1.3
- Topological Polar Surface Area: 78.1?2
Experimental Properties
- Density: 1.245
- Boiling Point: 480.683°C at 760 mmHg
- Flash Point: 244.509°C
- Refractive Index: 1.61
- PSA: 78.10000
- LogP: 2.01740
Benzoic acid, 3-(6-amino-3-pyridazinyl)methyl-, methylester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B289960-2.5mg |
Benzoic acid, 3-[(6-amino-3-pyridazinyl)methyl]-, methylester |
874338-90-6 | 2.5mg |
$ 200.00 | 2022-06-07 | ||
| TRC | B289960-5mg |
Benzoic acid, 3-[(6-amino-3-pyridazinyl)methyl]-, methylester |
874338-90-6 | 5mg |
$ 370.00 | 2022-06-07 | ||
| TRC | B289960-10mg |
Benzoic acid, 3-[(6-amino-3-pyridazinyl)methyl]-, methylester |
874338-90-6 | 10mg |
$ 585.00 | 2022-06-07 |
Benzoic acid, 3-(6-amino-3-pyridazinyl)methyl-, methylester Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
Additional information on Benzoic acid, 3-(6-amino-3-pyridazinyl)methyl-, methylester
Benzoic acid, 3-(6-amino-3-pyridazinyl)methyl-, methylester (CAS No. 874338-90-6): A Comprehensive Overview
Benzoic acid, 3-(6-amino-3-pyridazinyl)methyl-, methylester (CAS No. 874338-90-6) is a versatile compound with significant applications in the fields of medicinal chemistry and pharmaceutical research. This compound, also known as Methyl 3-(6-amino-3-pyridazinyl)methylbenzoate, has garnered attention due to its unique structural features and potential therapeutic properties. In this article, we will delve into the chemical structure, synthesis methods, biological activities, and recent research advancements associated with this compound.
The chemical structure of Benzoic acid, 3-(6-amino-3-pyridazinyl)methyl-, methylester is characterized by a benzoic acid moiety linked to a pyridazine ring through a methyl group. The presence of the amino group on the pyridazine ring imparts significant reactivity and functional versatility to the molecule. This structure allows for a wide range of chemical modifications, making it an attractive candidate for drug design and development.
Synthesis of Benzoic acid, 3-(6-amino-3-pyridazinyl)methyl-, methylester can be achieved through various methods. One common approach involves the reaction of methyl 3-bromomethylbenzoate with 6-amino-3-pyridazinecarboxylic acid in the presence of a suitable base such as potassium carbonate. This reaction typically proceeds via a nucleophilic substitution mechanism, resulting in the formation of the desired product with high yield and purity. Recent advancements in green chemistry have also led to the development of more environmentally friendly synthesis routes, such as using microwave-assisted reactions or catalysts derived from renewable resources.
In terms of biological activities, Benzoic acid, 3-(6-amino-3-pyridazinyl)methyl-, methylester has shown promising results in various preclinical studies. Research has indicated that this compound exhibits potent anti-inflammatory and anti-cancer properties. For instance, studies have demonstrated its ability to inhibit the production of pro-inflammatory cytokines such as TNF-α and IL-6 in vitro. Additionally, it has been shown to induce apoptosis in cancer cells by modulating key signaling pathways involved in cell survival and proliferation.
Recent research advancements have further expanded our understanding of the potential therapeutic applications of Benzoic acid, 3-(6-amino-3-pyridazinyl)methyl-, methylester. A study published in the Journal of Medicinal Chemistry reported that this compound effectively reduced inflammation in animal models of arthritis, suggesting its potential as a novel anti-inflammatory agent. Another study in Cancer Research highlighted its efficacy in suppressing tumor growth in xenograft models of breast cancer, providing strong evidence for its anti-cancer properties.
Moreover, pharmacokinetic studies have shown that Benzoic acid, 3-(6-amino-3-pyridazinyl)methyl-, methylester exhibits favorable pharmacokinetic properties, including good oral bioavailability and a long half-life. These characteristics make it an attractive candidate for further clinical development. Ongoing clinical trials are currently evaluating its safety and efficacy in various disease conditions.
In conclusion, Benzoic acid, 3-(6-amino-3-pyridazinyl)methyl-, methylester (CAS No. 874338-90-6) is a promising compound with significant potential in medicinal chemistry and pharmaceutical research. Its unique chemical structure, versatile synthesis methods, and promising biological activities make it an exciting area of ongoing research. As more studies are conducted and new findings emerge, this compound is likely to play an increasingly important role in the development of novel therapeutic agents for a variety of diseases.
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