Cas no 885518-55-8 (Methyl 6-nitro-1H-indazole-4-carboxylate)
Methyl 6-nitro-1H-indazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 6-nitro-1H-indazole-4-carboxylate
- 6-Nitro-4-indazolecarboxylic acid methyl ester
- 6-NITRO-4-INDAZOLECARBOXYLIC ACID METHYL ESTER
- 6-Nitro-1H-indazole-4-carboxylic acid methyl ester
- HOJSKHUYDHPZKX-UHFFFAOYSA-N
- SCHEMBL2594220
- PB30967
- Methyl6-nitro-1H-indazole-4-carboxylate
- SY103804
- P10499
- AKOS016004203
- 885518-55-8
- DS-3780
- DTXSID00646144
- MFCD07781324
-
- MDL: MFCD07781324
- Inchi: 1S/C9H7N3O4/c1-16-9(13)6-2-5(12(14)15)3-8-7(6)4-10-11-8/h2-4H,1H3,(H,10,11)
- InChI Key: HOJSKHUYDHPZKX-UHFFFAOYSA-N
- SMILES: O=C(C1C2=C(NN=C2)C=C([N+](=O)[O-])C=1)OC
Computed Properties
- Exact Mass: 221.04365571g/mol
- Monoisotopic Mass: 221.04365571g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 304
- 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
- XLogP3: 1.2
- Topological Polar Surface Area: 101?2
Experimental Properties
- Density: 1.5±0.1 g/cm3
- Boiling Point: 443.2±25.0 °C at 760 mmHg
- Flash Point: 221.8±23.2 °C
- Vapor Pressure: 0.0±1.1 mmHg at 25°C
Methyl 6-nitro-1H-indazole-4-carboxylate Security Information
- Signal Word:Warning
- Hazard Statement: H302-H315-H319-H335
- Warning Statement: P261-P305+P351+P338
- Safety Instruction: H303+H313+H333
- Storage Condition:Sealed in dry,Room Temperature
Methyl 6-nitro-1H-indazole-4-carboxylate Pricemore >>
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Methyl 6-nitro-1H-indazole-4-carboxylate Suppliers
Methyl 6-nitro-1H-indazole-4-carboxylate Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
Additional information on Methyl 6-nitro-1H-indazole-4-carboxylate
Methyl 6-nitro-1H-indazole-4-carboxylate (CAS No. 885518-55-8): An Overview
Methyl 6-nitro-1H-indazole-4-carboxylate (CAS No. 885518-55-8) is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, characterized by its unique structural features, has shown promising potential in various applications, particularly in the development of novel therapeutic agents.
The chemical structure of Methyl 6-nitro-1H-indazole-4-carboxylate consists of an indazole core with a nitro group at the 6-position and a methyl ester group at the 4-position. The indazole scaffold is a well-known privileged structure in medicinal chemistry, often found in bioactive molecules with diverse pharmacological activities. The presence of the nitro group and the ester functionality imparts specific chemical and biological properties to this compound, making it an attractive candidate for further investigation.
Recent studies have highlighted the potential of Methyl 6-nitro-1H-indazole-4-carboxylate as a lead compound for the development of new drugs. One notable area of research is its anti-inflammatory properties. In vitro and in vivo studies have demonstrated that this compound exhibits significant anti-inflammatory activity by modulating key signaling pathways involved in inflammation. For instance, it has been shown to inhibit the production of pro-inflammatory cytokines such as TNF-α and IL-6, which are critical mediators of inflammatory responses.
Moreover, Methyl 6-nitro-1H-indazole-4-carboxylate has been investigated for its potential as an antiproliferative agent. Studies have indicated that it can effectively inhibit the growth of various cancer cell lines by inducing apoptosis and cell cycle arrest. The mechanism of action involves the modulation of multiple signaling pathways, including those related to cell survival and proliferation. These findings suggest that this compound could be a valuable starting point for the development of new anticancer drugs.
In addition to its anti-inflammatory and antiproliferative properties, Methyl 6-nitro-1H-indazole-4-carboxylate has also shown promise in other therapeutic areas. For example, it has been evaluated for its neuroprotective effects in models of neurodegenerative diseases. Research has demonstrated that this compound can protect neuronal cells from oxidative stress and apoptosis, which are key factors in the pathogenesis of conditions such as Alzheimer's disease and Parkinson's disease.
The pharmacokinetic properties of Methyl 6-nitro-1H-indazole-4-carboxylate have also been studied to assess its suitability as a drug candidate. Preliminary data indicate that it exhibits favorable absorption, distribution, metabolism, and excretion (ADME) profiles. These characteristics are crucial for ensuring that the compound can effectively reach its target site and exert its therapeutic effects without causing significant side effects.
To further optimize the therapeutic potential of Methyl 6-nitro-1H-indazole-4-carboxylate, researchers are exploring various structural modifications. These efforts aim to enhance the compound's potency, selectivity, and pharmacokinetic properties while minimizing potential toxicities. For instance, substituting different functional groups on the indazole core or modifying the ester moiety can lead to derivatives with improved biological activities.
In conclusion, Methyl 6-nitro-1H-indazole-4-carboxylate (CAS No. 885518-55-8) is a promising compound with a wide range of potential applications in medicinal chemistry and pharmaceutical research. Its unique chemical structure and diverse biological activities make it an attractive candidate for further development as a novel therapeutic agent. Ongoing research continues to uncover new insights into its mechanisms of action and potential clinical uses, paving the way for innovative treatments in various disease areas.
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