Cas no 875305-81-0 (5-chloro-1H-Indole-7-carboxylic acid)
5-chloro-1H-Indole-7-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-chloro-1H-Indole-7-carboxylic acid
- 1H-INDOLE-7-CARBOXYLIC ACID,5-CHLORO
- 5-Chloro-7-indolecarboxylic acid
- 5-chloro-1H-indole-7-carboxylicacid
- SB15155
- FT-0762034
- EN300-1608559
- SCHEMBL988532
- CS-0050542
- 5-chloro-1H-indol-7-carboxylic acid
- A858195
- AS-43119
- 875305-81-0
- MFCD16037410
- AMY35042
- NQDMTJYCOYPTOZ-UHFFFAOYSA-N
- AKOS023770518
-
- MDL: MFCD16037410
- Inchi: 1S/C9H6ClNO2/c10-6-3-5-1-2-11-8(5)7(4-6)9(12)13/h1-4,11H,(H,12,13)
- InChI Key: NQDMTJYCOYPTOZ-UHFFFAOYSA-N
- SMILES: ClC1C=C(C(=O)O)C2=C(C=1)C=CN2
Computed Properties
- Exact Mass: 195.0087061g/mol
- Monoisotopic Mass: 195.0087061g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 222
- 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: 2.2
- Topological Polar Surface Area: 53.1?2
Experimental Properties
- Density: 1.5±0.1 g/cm3
- Boiling Point: 440.6±25.0 °C at 760 mmHg
- Flash Point: 220.2±23.2 °C
- Vapor Pressure: 0.0±1.1 mmHg at 25°C
5-chloro-1H-Indole-7-carboxylic acid Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
5-chloro-1H-Indole-7-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A199011343-250mg |
5-Chloro-1H-indole-7-carboxylic acid |
875305-81-0 | 95% | 250mg |
$429.00 | 2023-08-31 | |
| Alichem | A199011343-1g |
5-Chloro-1H-indole-7-carboxylic acid |
875305-81-0 | 95% | 1g |
$984.75 | 2023-08-31 | |
| TRC | C593145-10mg |
5-chloro-1H-indole-7-carboxylic Acid |
875305-81-0 | 10mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C593145-50mg |
5-chloro-1H-indole-7-carboxylic Acid |
875305-81-0 | 50mg |
$ 210.00 | 2022-06-06 | ||
| TRC | C593145-100mg |
5-chloro-1H-indole-7-carboxylic Acid |
875305-81-0 | 100mg |
$ 320.00 | 2022-06-06 | ||
| Chemenu | CM241062-1g |
5-Chloro-1H-indole-7-carboxylic acid |
875305-81-0 | 95%+ | 1g |
$701 | 2021-08-04 | |
| abcr | AB469760-100 mg |
5-Chloro-1H-indole-7-carboxylic acid, 95%; . |
875305-81-0 | 95% | 100mg |
€257.20 | 2023-04-21 | |
| abcr | AB469760-250 mg |
5-Chloro-1H-indole-7-carboxylic acid, 95%; . |
875305-81-0 | 95% | 250mg |
€471.40 | 2023-04-21 | |
| abcr | AB469760-500 mg |
5-Chloro-1H-indole-7-carboxylic acid, 95%; . |
875305-81-0 | 95% | 500mg |
€757.00 | 2023-04-21 | |
| abcr | AB469760-1 g |
5-Chloro-1H-indole-7-carboxylic acid, 95%; . |
875305-81-0 | 95% | 1g |
€1,114.00 | 2023-04-21 |
5-chloro-1H-Indole-7-carboxylic acid Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
Additional information on 5-chloro-1H-Indole-7-carboxylic acid
Introduction to 5-chloro-1H-Indole-7-carboxylic acid (CAS No. 875305-81-0)
5-chloro-1H-Indole-7-carboxylic acid, identified by the Chemical Abstracts Service Number (CAS No.) 875305-81-0, is a significant compound in the realm of pharmaceutical chemistry and medicinal research. This heterocyclic aromatic acid derivative has garnered considerable attention due to its versatile structural framework and potential biological activities. The presence of both a chloro substituent and a carboxylic acid group on the indole core imparts unique reactivity, making it a valuable intermediate in the synthesis of various pharmacologically active molecules.
The indole scaffold, a prominent motif in natural products and bioactive compounds, is well-documented for its role in modulating diverse biological pathways. Specifically, 5-chloro-1H-Indole-7-carboxylic acid has been explored for its potential in inhibiting certain enzymes and receptors involved in inflammatory responses, neurodegenerative diseases, and cancer progression. Recent studies have highlighted its significance as a precursor in the development of novel therapeutic agents targeting these conditions.
In the context of modern drug discovery, the compound’s structural features make it an attractive candidate for further derivatization. The chloro group at the 5-position of the indole ring enhances electrophilicity, facilitating nucleophilic substitution reactions that can lead to the introduction of diverse functional groups. Concurrently, the carboxylic acid moiety at the 7-position allows for amide or ester formation, broadening the scope of possible derivatives. These chemical attributes have positioned 5-chloro-1H-Indole-7-carboxylic acid as a key building block in medicinal chemistry.
Recent advancements in computational chemistry have further underscored the importance of this compound. Molecular modeling studies suggest that 5-chloro-1H-Indole-7-carboxylic acid can interact with specific protein targets through hydrogen bonding and hydrophobic interactions. Such insights have guided researchers in designing analogs with enhanced binding affinity and selectivity. For instance, modifications at the 3-position of the indole ring have been investigated to optimize pharmacokinetic properties while maintaining biological efficacy.
The compound’s relevance extends beyond academic research; it has been incorporated into several preclinical studies evaluating its role in modulating immune responses. Preliminary data indicate that derivatives of 5-chloro-1H-Indole-7-carboxylic acid may exhibit immunomodulatory effects by influencing cytokine production and cell signaling pathways. These findings are particularly intriguing given the growing interest in immunotherapy for cancer and autoimmune diseases.
From a synthetic perspective, 5-chloro-1H-Indole-7-carboxylic acid serves as a versatile intermediate in multi-step organic transformations. Its synthesis typically involves chlorination of indole derivatives followed by carboxylation at the 7-position. Advances in catalytic methods have enabled more efficient and environmentally friendly routes to this compound, aligning with green chemistry principles. Such improvements are crucial for scaling up production while minimizing waste.
The pharmaceutical industry has taken note of these developments, with several companies exploring derivatives of 5-chloro-1H-Indole-7-carboxylic acid for therapeutic applications. Early-phase clinical trials are underway to assess safety and efficacy profiles of novel compounds derived from this scaffold. The outcomes of these trials could pave the way for new treatments targeting neurological disorders, chronic inflammation, and metabolic diseases.
In conclusion, 5-chloro-1H-Indole-7-carboxylic acid (CAS No. 875305-81-0) represents a promising area of research with significant implications for drug development. Its unique structural features, combined with recent advances in synthetic methodologies and computational biology, position it as a cornerstone compound in medicinal chemistry. As further studies unravel its biological potential, it is likely to remain at the forefront of pharmaceutical innovation.
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