Cas no 317821-68-4 (1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride)
1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- O-(2-Chloro-4-fluorobenzyl)hydroxylamine hydrochloride
- 1-[(Aminooxy)methyl]-2-chloro-4-fluorobenzene hydrochloride
- AG-A-16551
- AG-B-40223
- CTK7F2121
- MolPort-001-775-476
- RL03123
- SBB094580
- SureCN1715472
- O-[(2-chloro-4-fluorophenyl)methyl]hydroxylamine;hydrochloride
- 317821-68-4
- DB-361479
- AKOS005069768
- MFCD01114574
- 1-[(Aminooxy)methyl]-2-chloro-4-fluorobenzene HCl
- CS-0450938
- 2-Chloro-4-Fluorobenzyloxyamine HCl
- 1G-925
- O-[(2-chloro-4-fluorophenyl)methyl]hydroxylamine,hydrochloride
- DTXSID50594707
- O-(2-Chloro-4-fluorobenzyl)hydroxylaminehydrochloride
- 1-[(Ammoniooxy)methyl]-2-chloro-4-fluorobenzene hydrochloride
- 1-[(Aminooxy)methyl]-2-chloro-4-fluorobenzenehydrochloride
- SCHEMBL1715472
- J-523786
- O-[(2-Chloro-4-fluorophenyl)methyl]hydroxylamine--hydrogen chloride (1/1)
- SB78701
- C7H8Cl2FNO
- O-[(2-chloro-4-fluorophenyl)methyl]hydroxylamine hydrochloride
- 1-[(Aminooxy)methyl]-2-chloro-4-fluorobenzene, HCl
- 1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride
-
- MDL: MFCD01114574
- Inchi: 1S/C7H7ClFNO.ClH/c8-7-3-6(9)2-1-5(7)4-11-10;/h1-3H,4,10H2;1H
- InChI Key: RESSCEGDJBQHMY-UHFFFAOYSA-N
- SMILES: ClC1C=C(C=CC=1CON)F.Cl
Computed Properties
- Exact Mass: 210.99684
- Monoisotopic Mass: 210.9966974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 125
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 35.2?2
Experimental Properties
- PSA: 35.25
1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019140699-5g |
O-(2-Chloro-4-fluorobenzyl)hydroxylamine hydrochloride |
317821-68-4 | 95% | 5g |
$598.50 | 2023-09-02 | |
| TRC | A639245-50mg |
1-[(aminooxy)methyl]-2-chloro-4-fluorobenzene hydrochloride |
317821-68-4 | 50mg |
$ 50.00 | 2022-06-07 | ||
| TRC | A639245-100mg |
1-[(aminooxy)methyl]-2-chloro-4-fluorobenzene hydrochloride |
317821-68-4 | 100mg |
$ 70.00 | 2022-06-07 | ||
| TRC | A639245-500mg |
1-[(aminooxy)methyl]-2-chloro-4-fluorobenzene hydrochloride |
317821-68-4 | 500mg |
$ 250.00 | 2022-06-07 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | O874000-10mg |
O-(2-Chloro-4-fluorobenzyl)hydroxylamine hydrochloride |
317821-68-4 | ≥95% | 10mg |
¥109.00 | 2022-09-01 | |
| Apollo Scientific | PC4624-250mg |
O-(2-Chloro-4-fluorobenzyl)hydroxylamine hydrochloride |
317821-68-4 | 95% | 250mg |
£41.00 | 2024-07-20 | |
| Apollo Scientific | PC4624-1g |
O-(2-Chloro-4-fluorobenzyl)hydroxylamine hydrochloride |
317821-68-4 | 1g |
£185.00 | 2023-04-13 | ||
| eNovation Chemicals LLC | Y1107961-1g |
O-(2-Chloro-4-fluorobenzyl)hydroxylamine hydrochloride |
317821-68-4 | 95% | 1g |
$450 | 2024-08-03 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1521605-10mg |
O-(2-chloro-4-fluorobenzyl)hydroxylamine hydrochloride |
317821-68-4 | 98% | 10mg |
¥141.00 | 2024-08-02 | |
| Key Organics Ltd | 1G-925-1MG |
1-[(aminooxy)methyl]-2-chloro-4-fluorobenzene hydrochloride |
317821-68-4 | >95% | 1mg |
£28.00 | 2025-02-09 |
1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride Suppliers
1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
Additional information on 1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride
Recent Advances in the Study of 1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride (CAS: 317821-68-4)
1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride (CAS: 317821-68-4) is a specialized chemical compound that has garnered significant attention in the field of chemical biology and pharmaceutical research. This compound, characterized by its unique aminooxy and halogenated benzene structure, has been explored for its potential applications in drug development, particularly in the design of enzyme inhibitors and targeted therapeutics. Recent studies have focused on its synthesis, reactivity, and biological activity, providing new insights into its utility in medicinal chemistry.
The synthesis of 1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride has been optimized in recent years to improve yield and purity. A 2023 study published in the Journal of Medicinal Chemistry detailed a novel synthetic route that employs a one-pot reaction strategy, significantly reducing the number of steps required and minimizing byproduct formation. This advancement has facilitated larger-scale production, enabling more extensive pharmacological evaluations. The study also highlighted the compound's stability under physiological conditions, a critical factor for its potential use in vivo.
In terms of biological activity, 1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride has shown promise as a reversible inhibitor of certain enzymes involved in inflammatory pathways. Research published in Bioorganic & Medicinal Chemistry Letters (2024) demonstrated its efficacy in selectively targeting myeloperoxidase (MPO), an enzyme implicated in chronic inflammatory diseases. The compound's ability to form stable adducts with MPO's active site was confirmed through X-ray crystallography, providing a structural basis for its inhibitory mechanism. These findings suggest its potential as a lead compound for developing anti-inflammatory drugs.
Further investigations have explored the compound's pharmacokinetic properties. A preclinical study conducted in 2024 evaluated its absorption, distribution, metabolism, and excretion (ADME) profiles in rodent models. The results indicated favorable oral bioavailability and a half-life suitable for once-daily dosing. However, the study also noted the need for further optimization to reduce renal clearance, which could enhance its therapeutic efficacy. These findings underscore the compound's potential while highlighting areas for future research.
Beyond its direct pharmacological applications, 1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride has been utilized as a versatile building block in chemical biology. Its aminooxy group enables efficient conjugation with carbonyl-containing molecules, making it valuable for bioconjugation strategies. Recent work in ACS Chemical Biology (2023) showcased its use in generating antibody-drug conjugates (ADCs) with improved stability and targeting specificity. This application opens new avenues for precision medicine, particularly in oncology.
In conclusion, 1-(aminooxy)methyl-2-chloro-4-fluorobenzene hydrochloride (CAS: 317821-68-4) represents a multifaceted compound with significant potential in drug discovery and chemical biology. Recent advancements in its synthesis, mechanistic understanding, and therapeutic applications have positioned it as a promising candidate for further development. Future research should focus on optimizing its pharmacokinetic properties and expanding its utility in targeted therapies. The compound's unique chemical features and demonstrated biological activity make it a valuable asset in the ongoing quest for novel pharmaceuticals.
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