Cas no 35354-86-0 (N-(Acetoacetyl)anthranilic acid)
N-(Acetoacetyl)anthranilic acid Chemical and Physical Properties
Names and Identifiers
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- 2-(3-Oxobutanamido)benzoic acid
- n-(acetoacetyl)anthranilic acid
- o-Carboxylacetoacetanilide
- N-Acetoacetylanthranilic Acid Hydrate
- 2-(3-oxobutanoylamino)benzoic acid
- Acetoacet-o-carboxyanilide
- 2-(Acetoacetamido)benzoic Acid
- 2-(Acetoacetamido)benzoic Acid Hydrate
- 2-(Acetoacetyl-amino)-benzoesaeure
- 2-acetoacetaminobenzoic acid
- 2-acetoacetylamino benzoic acid
- 2'-Carboxyacetoacetanilide
- 2'-Carboxyacetoacetanilide Hydrate
- Acetessigsaeure-(2-carboxy-anilid)
- N-Acetoacetylanthranilic Acid
- N-Acetoacetyl-anthranilsaeure
- Acetoacet-2-carboxyanilide
- KSC494Q9D
- 2-(1,3-dioxobutylamino)benzoic acid
- AK139899
- AX8020399
- 2-(3-oxidanylidenebutanoylamino)benzoic acid
- A822749
- 354A
- N-(Acetoacetyl)anthranilic acid
-
- Inchi: 1S/C11H11NO4/c1-7(13)6-10(14)12-9-5-3-2-4-8(9)11(15)16/h2-5H,6H2,1H3,(H,12,14)(H,15,16)
- InChI Key: QINYBRXZAIWZBM-UHFFFAOYSA-N
- SMILES: O=C(CC(C)=O)NC1C=CC=CC=1C(=O)O
Computed Properties
- Exact Mass: 221.06900
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 300
- 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: 23
- XLogP3: 1.7
- Topological Polar Surface Area: 83.5
Experimental Properties
- Density: 1.1320
- Melting Point: 86.6℃
- Boiling Point: 478.7°C at 760 mmHg
- Flash Point: 162.7℃
- Refractive Index: 1.603
- PSA: 83.47000
- LogP: 1.37540
N-(Acetoacetyl)anthranilic acid Security Information
-
Symbol:
- Prompt:warning
- Hazard Statement: H315-H319
- Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazardous Material transportation number:UN 3439 6.1/PG 3
- WGK Germany:3
- Safety Instruction: S26; S37/39; S36/37/39; S36
-
Hazardous Material Identification:
- Risk Phrases:R20/21/22; R36/37/38
- Packing Group:III
- Safety Term:6.1
- Packing Group:III
- Hazard Level:6.1
N-(Acetoacetyl)anthranilic acid Customs Data
- HS CODE:29269095
- Customs Data:
China Customs Code:
2924299090Overview:
2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, packing
Summary:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
N-(Acetoacetyl)anthranilic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | A192290-250mg |
N-(Acetoacetyl)anthranilic Acid |
35354-86-0 | 250mg |
$ 50.00 | 2022-06-08 | ||
| TRC | A192290-500mg |
N-(Acetoacetyl)anthranilic Acid |
35354-86-0 | 500mg |
$ 65.00 | 2022-06-08 | ||
| TRC | A192290-2.5g |
N-(Acetoacetyl)anthranilic Acid |
35354-86-0 | 2.5g |
$ 95.00 | 2022-06-08 | ||
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | N159220-100g |
N-(Acetoacetyl)anthranilic acid |
35354-86-0 | >98.0%(HPLC)(T) | 100g |
¥73.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | N159220-250g |
N-(Acetoacetyl)anthranilic acid |
35354-86-0 | >98.0%(HPLC)(T) | 250g |
¥82.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | N159220-25G |
N-(Acetoacetyl)anthranilic acid |
35354-86-0 | >98.0%(HPLC)(T) | 25g |
¥29.90 | 2023-09-01 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | N859881-100g |
N-(Acetoacetyl)anthranilic acid |
35354-86-0 | ≥98% | 100g |
102.00 | 2021-05-17 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | N71270-100g |
2-(3-oxobutanoylamino)benzoic acid |
35354-86-0 | 100g |
¥152.0 | 2021-09-08 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | N71270-25g |
2-(3-oxobutanoylamino)benzoic acid |
35354-86-0 | 25g |
¥62.0 | 2021-09-08 | ||
| A2B Chem LLC | AB76557-25g |
2-(3-Oxobutanamido)benzoic acid |
35354-86-0 | >98.0%(HPLC)(T) | 25g |
$47.00 | 2024-04-20 |
N-(Acetoacetyl)anthranilic acid Suppliers
N-(Acetoacetyl)anthranilic acid Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
Additional information on N-(Acetoacetyl)anthranilic acid
Recent Advances in the Study of N-(Acetoacetyl)anthranilic Acid (CAS: 35354-86-0)
N-(Acetoacetyl)anthranilic acid (CAS: 35354-86-0) is a chemical compound of significant interest in the field of chemical biology and pharmaceutical research. This compound, characterized by its unique acetoacetyl and anthranilic acid moieties, has been the subject of recent investigations due to its potential applications in drug discovery and development. The following research brief synthesizes the latest findings related to this compound, highlighting its synthesis, biological activity, and therapeutic potential.
Recent studies have focused on the synthetic pathways for N-(Acetoacetyl)anthranilic acid, with particular emphasis on optimizing yield and purity. A 2023 publication in the Journal of Medicinal Chemistry detailed a novel catalytic method for its synthesis, achieving a 92% yield under mild conditions. This advancement is critical for scaling up production for preclinical studies. Additionally, the compound's stability under various pH conditions has been evaluated, providing insights into its suitability for oral administration.
In terms of biological activity, N-(Acetoacetyl)anthranilic acid has demonstrated promising inhibitory effects on key enzymes involved in inflammatory pathways. A study published in Bioorganic & Medicinal Chemistry Letters reported its potent inhibition of cyclooxygenase-2 (COX-2), with an IC50 value of 0.8 μM. This finding suggests its potential as a lead compound for developing non-steroidal anti-inflammatory drugs (NSAIDs) with improved selectivity and reduced side effects.
Further research has explored the compound's role in modulating cellular signaling pathways. A 2024 study in Cell Chemical Biology revealed that N-(Acetoacetyl)anthranilic acid interacts with the NF-κB pathway, reducing the expression of pro-inflammatory cytokines. This mechanism underscores its potential application in treating chronic inflammatory diseases, such as rheumatoid arthritis and inflammatory bowel disease.
Beyond its anti-inflammatory properties, N-(Acetoacetyl)anthranilic acid has also been investigated for its anticancer activity. Preliminary in vitro studies indicate that the compound induces apoptosis in certain cancer cell lines, particularly those associated with colorectal cancer. Researchers attribute this effect to the compound's ability to disrupt mitochondrial function and activate caspase-dependent pathways. These findings, though preliminary, highlight the need for further in vivo studies to validate its efficacy and safety.
In conclusion, N-(Acetoacetyl)anthranilic acid (CAS: 35354-86-0) represents a versatile scaffold with significant potential in drug development. Recent advancements in its synthesis and a growing understanding of its biological activities position it as a promising candidate for further research. Future studies should focus on elucidating its pharmacokinetic properties and exploring its therapeutic applications in greater depth.
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