Cas no 106352-01-6 (3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid)
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid Chemical and Physical Properties
Names and Identifiers
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- 3-((1,3-Dioxoisoindolin-2-yl)methyl)benzoic acid
- 3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YLMETHYL)-BENZOIC ACID
- 3-[(1,3-dioxoisoindol-2-yl)methyl]benzoic acid
- 3-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid
- 3-Phthalimidomethyl-benzoesaeure
- 3-phthalimidomethyl-benzoic acid
- Benzoic acid,3-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]
- m-phthalimidomethylbenzoic acid
- 3-[(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]benzoic acid
- Benzoic acid,3-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)Methyl]-
- 3-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]benzoic acid
- 3-(Phthalimidomethyl)benzoic acid
- Oprea1_701732
- MLS001233778
- ZUWJKVVWOLYFRK-UHFFFAOYSA-N
- HMS2865A20
- HMS174
- AB00724363-01
- AG-690/33077055
- A895829
- CHEMBL1577958
- 3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YLMETHYL)-BENZOICACID
- EN300-06688
- SCHEMBL1200846
- AKOS000117643
- SB66157
- 106352-01-6
- HMS1748P22
- J-510411
- AS-44818
- SMR000589174
- CHEBI:189223
- CS-0156008
- EiM08-25398
- MFCD00418210
- AB7097
- DTXSID30339254
- 3-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid #
- 3-((1,3-Dioxoisoindolin-2-yl)methyl)benzoicacid
- ALBB-033078
- STL480946
- 3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid
-
- MDL: MFCD00418210
- Inchi: 1S/C16H11NO4/c18-14-12-6-1-2-7-13(12)15(19)17(14)9-10-4-3-5-11(8-10)16(20)21/h1-8H,9H2,(H,20,21)
- InChI Key: ZUWJKVVWOLYFRK-UHFFFAOYSA-N
- SMILES: O=C1C2C=CC=CC=2C(N1CC1C=CC=C(C(=O)O)C=1)=O
Computed Properties
- Exact Mass: 281.06900
- Monoisotopic Mass: 280.060983
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 437
- 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
- Topological Polar Surface Area: 74.7
- XLogP3: 1.9
Experimental Properties
- Color/Form: No data available
- Density: 1.454
- Melting Point: No data available
- Boiling Point: 511.4°C at 760 mmHg
- Flash Point: 263.1°C
- PSA: 74.68000
- LogP: 2.11890
- Vapor Pressure: 0.0±1.4 mmHg at 25°C
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid Security Information
- Signal Word:Warning
- Hazard Statement: H302-H315-H319-H335
- Warning Statement: P261-P305+P351+P338
- Safety Instruction: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Storage Condition:Sealed in dry,2-8°C
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid Customs Data
- HS CODE:2925190090
- Customs Data:
China Customs Code:
2925190090Overview:
2925190090 Other imides and their derivative salts. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2925190090 other imides and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-QU034-250mg |
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid |
106352-01-6 | 95+% | 250mg |
1137CNY | 2021-05-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-QU034-100mg |
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid |
106352-01-6 | 95+% | 100mg |
472CNY | 2021-05-07 | |
| Alichem | A199007733-1g |
3-((1,3-Dioxoisoindolin-2-yl)methyl)benzoic acid |
106352-01-6 | 95% | 1g |
$400.00 | 2023-09-04 | |
| Chemenu | CM261016-1g |
3-((1,3-Dioxoisoindolin-2-yl)methyl)benzoic acid |
106352-01-6 | 95% | 1g |
$284 | 2021-08-18 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X38325-100mg |
3-((1,3-Dioxoisoindolin-2-yl)methyl)benzoic acid |
106352-01-6 | 95% | 100mg |
¥301.0 | 2024-07-16 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X38325-1g |
3-((1,3-Dioxoisoindolin-2-yl)methyl)benzoic acid |
106352-01-6 | 95% | 1g |
¥1461.0 | 2024-07-16 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X38325-250mg |
3-((1,3-Dioxoisoindolin-2-yl)methyl)benzoic acid |
106352-01-6 | 95% | 250mg |
¥541.0 | 2024-07-16 | |
| TRC | D486393-25mg |
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid |
106352-01-6 | 25mg |
$64.00 | 2023-05-18 | ||
| TRC | D486393-50mg |
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid |
106352-01-6 | 50mg |
$81.00 | 2023-05-18 | ||
| TRC | D486393-100mg |
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid |
106352-01-6 | 100mg |
$121.00 | 2023-05-18 |
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid Suppliers
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
Additional information on 3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic Acid: A Comprehensive Overview
The compound with CAS No. 106352-01-6, known as 3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid, is a significant molecule in the field of organic chemistry and pharmacology. This compound has garnered attention due to its unique structural properties and potential applications in drug development. The benzoic acid moiety forms the core of this molecule, while the isoindole ring system introduces additional functional groups that enhance its chemical reactivity and biological activity.
Recent studies have highlighted the importance of isoindole derivatives in medicinal chemistry. These compounds are known for their ability to modulate various biological pathways, making them promising candidates for the treatment of diseases such as cancer, inflammation, and neurodegenerative disorders. The dioxo-dihydroisoindole group in this compound adds a layer of complexity to its structure, potentially enhancing its bioavailability and target specificity.
One of the most notable aspects of 3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid is its role in enzyme inhibition. Researchers have demonstrated that this compound exhibits potent inhibitory activity against key enzymes involved in cellular signaling pathways. For instance, it has been shown to inhibit the activity of cyclin-dependent kinases (CDKs), which are critical regulators of cell cycle progression. This property makes it a valuable tool in the development of anticancer therapies.
In addition to its enzymatic activity, this compound has also been studied for its potential as a scaffold for drug design. The benzoic acid group provides a platform for further functionalization, allowing chemists to explore a wide range of substituents that could enhance its therapeutic potential. Recent advancements in computational chemistry have enabled researchers to predict the binding affinities of this compound to various protein targets, further accelerating its development as a drug candidate.
The synthesis of 3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid involves a multi-step process that combines principles from both organic and medicinal chemistry. Key steps include the formation of the isoindole ring system through cyclization reactions and the subsequent introduction of the benzoic acid moiety via coupling reactions. These reactions are optimized to ensure high yields and purity, which are essential for downstream applications.
From an environmental perspective, this compound has been evaluated for its biodegradability and ecological impact. Studies indicate that it undergoes rapid degradation under aerobic conditions, minimizing its potential to accumulate in the environment. This makes it a more sustainable option compared to other synthetic compounds with longer persistence.
In conclusion, 3-(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-benzoic acid represents a promising molecule with diverse applications in the field of pharmaceuticals and beyond. Its unique structure, combined with recent advances in chemical synthesis and computational modeling, positions it as a key player in future drug discovery efforts.
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