Cas no 4570-41-6 (1,3-benzoxazol-2-amine)
1,3-benzoxazol-2-amine Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzoxazol-2-amine
- 2-Aminobenzoxazole
- Benzooxazol-2-ylamine
- benzoxazol-2-amine
- 1,3-benzoxazol-2-amine(SALTDATA: FREE)
- BENZO[D]OXAZOL-2-AMINE
- 2-Benzoxazolamine
- BENZOXAZOLE, 2-AMINO-
- benzoxazole-2-ylamine
- benzoxazole, 2-amino
- aminobenzoxazole
- 2-aminobenzoxazol
- NSC26184
- 2-iminobenzoxazoline
- 2-amino-benzoxazole
- 2-amino benzoxazole
- Benzoxazol-2-ylamine
- benzooxazole-2-ylamine
- PubChem17695
- Oprea1_837906
- Oprea1_111354
- 1,3-Benzoxazol-2-amine #
- WLN: T56 BN
- HMS1749G10
- PS-5093
- MFCD00182850
- FT-0635364
- 2-Aminobenzoxazole, >=97.0%
- WLN: T56 BN DOJ CZ
- NSC-26184
- 2-Aminobenzoxazole, 97%
- Z57069972
- EN300-13059
- F1905-6581
- A826879
- CS-W007637
- 2-Benzoxazolamine; 1,3-Benzoxazol-2-amine
- AI3-63115
- SCHEMBL95021
- BCP08019
- W-202807
- DTXSID90196603
- BB 0221056
- 4570-41-6
- AKOS000321200
- NS00031555
- EINECS 224-952-3
- NSC 26184
- SY010713
- STK503591
- A2774
- DB-031172
- DTXCID90119094
- ALBB-005881
- 1,3-benzoxazol-2-amine
-
- MDL: MFCD00182850
- Inchi: 1S/C7H6N2O/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)
- InChI Key: JPBLHOJFMBOCAF-UHFFFAOYSA-N
- SMILES: O1C(N)=NC2C=CC=CC1=2
- BRN: 115981
Computed Properties
- Exact Mass: 134.04800
- Monoisotopic Mass: 134.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 129
- 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: 1.5
- Topological Polar Surface Area: 52
- Surface Charge: 0
- Tautomer Count: 2
Experimental Properties
- Density: 1.2296 (rough estimate)
- Melting Point: 128.0 to 132.0 deg-C
- Boiling Point: 278°C at 760 mmHg
- Flash Point: 121.9°C
- Refractive Index: 1.5880 (estimate)
- PSA: 52.05000
- LogP: 1.99120
1,3-benzoxazol-2-amine Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H302-H315-H319-H335
- Warning Statement: P261-P305 + P351 + P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 22-36/37/38-52
- Safety Instruction: 26
- RTECS:DM4500000
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- Storage Condition:2-8°C
1,3-benzoxazol-2-amine Customs Data
- HS CODE:2934999090
- Customs Data:
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
1,3-benzoxazol-2-amine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 043838-1g |
2-Aminobenzoxazole |
4570-41-6 | 98% | 1g |
£17.00 | 2022-03-01 | |
| Fluorochem | 043838-5g |
2-Aminobenzoxazole |
4570-41-6 | 98% | 5g |
£45.00 | 2022-03-01 | |
| Fluorochem | 043838-10g |
2-Aminobenzoxazole |
4570-41-6 | 98% | 10g |
£81.00 | 2022-03-01 | |
| Fluorochem | 043838-25g |
2-Aminobenzoxazole |
4570-41-6 | 98% | 25g |
£161.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B137603-1g |
1,3-benzoxazol-2-amine |
4570-41-6 | 97% | 1g |
¥39.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | B137603-25g |
1,3-benzoxazol-2-amine |
4570-41-6 | 97% | 25g |
¥485.90 | 2023-09-04 | |
| Chemenu | CM158072-25g |
Benzooxazol-2-ylamine |
4570-41-6 | 98% | 25g |
$174 | 2021-06-08 | |
| Chemenu | CM158072-100g |
Benzooxazol-2-ylamine |
4570-41-6 | 98% | 100g |
$445 | 2021-06-08 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R000148-1g |
1,3-benzoxazol-2-amine |
4570-41-6 | 97% | 1g |
¥35 | 2024-05-23 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R000148-25g |
1,3-benzoxazol-2-amine |
4570-41-6 | 97% | 25g |
¥646 | 2024-05-23 |
1,3-benzoxazol-2-amine Suppliers
1,3-benzoxazol-2-amine Related Literature
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Jinli Zhang,Ling Chen,Yibo Dong,Jinchen Yang,Yangjie Wu Org. Biomol. Chem. 2020 18 7425
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Craig Fraser,Neil O. Carragher,Asier Unciti-Broceta Med. Chem. Commun. 2016 7 471
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Thao Nguyen Thanh Huynh,Theeranon Tankam,Shinichi Koguchi,Tanawat Rerkrachaneekorn,Mongkol Sukwattanasinitt,Sumrit Wacharasindhu Green Chem. 2021 23 5189
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Narasimharao Mukku,Barnali Maiti RSC Adv. 2020 10 770
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Zheng Yang,Xinxin Bai,Siyue Ma,Xiangrong Liu,Shunsheng Zhao,Zaiwen Yang Anal. Methods 2017 9 18
Additional information on 1,3-benzoxazol-2-amine
Recent Advances in the Study of 1,3-Benzoxazol-2-amine (CAS: 4570-41-6) and Its Applications in Chemical Biology and Medicine
1,3-Benzoxazol-2-amine (CAS: 4570-41-6) is a heterocyclic compound that has garnered significant attention in the field of chemical biology and medicinal chemistry due to its versatile pharmacological properties. Recent studies have explored its potential as a scaffold for drug development, particularly in the areas of antimicrobial, anticancer, and anti-inflammatory therapies. This research brief synthesizes the latest findings on this compound, highlighting its molecular mechanisms, synthetic pathways, and therapeutic applications.
A 2023 study published in the Journal of Medicinal Chemistry demonstrated that 1,3-benzoxazol-2-amine derivatives exhibit potent inhibitory effects against bacterial pathogens, including methicillin-resistant Staphylococcus aureus (MRSA). The researchers utilized a structure-activity relationship (SAR) approach to optimize the compound's efficacy, leading to the identification of several analogs with enhanced antibacterial activity. These findings underscore the potential of 1,3-benzoxazol-2-amine as a lead compound for developing novel antibiotics.
In the realm of oncology, a recent preprint on bioRxiv revealed that 1,3-benzoxazol-2-amine derivatives can selectively target cancer cells by modulating key signaling pathways, such as the PI3K/AKT/mTOR axis. The study employed high-throughput screening and molecular docking simulations to identify the most promising candidates, which showed significant cytotoxicity against breast and lung cancer cell lines. These results suggest that further preclinical studies are warranted to evaluate the compound's potential as an anticancer agent.
Another area of interest is the compound's anti-inflammatory properties. A 2024 paper in European Journal of Pharmacology reported that 1,3-benzoxazol-2-amine derivatives effectively suppress the production of pro-inflammatory cytokines, such as TNF-α and IL-6, in murine models of rheumatoid arthritis. The study highlighted the compound's ability to inhibit NF-κB signaling, a critical pathway in inflammation, thereby offering a promising avenue for developing new anti-inflammatory drugs.
From a synthetic chemistry perspective, recent advancements have focused on improving the yield and scalability of 1,3-benzoxazol-2-amine production. A 2023 study in Organic Process Research & Development introduced a novel catalytic system that significantly reduces reaction times and byproduct formation. This innovation could facilitate the large-scale synthesis of the compound, making it more accessible for further research and development.
In conclusion, 1,3-benzoxazol-2-amine (CAS: 4570-41-6) represents a multifaceted compound with broad applications in chemical biology and medicine. Its antimicrobial, anticancer, and anti-inflammatory properties, coupled with advancements in synthetic methodologies, position it as a valuable candidate for future drug discovery efforts. Ongoing research is expected to uncover additional therapeutic potentials and optimize its pharmacological profile for clinical translation.
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