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5-AMINO-3-(4-METHOXYPHENYL)ISOXAZOLE 9& is a chemical compound that features an isoxazole ring with a 4-methoxyphenyl group attached to the 3-position and an amino group at the 5-position. 5-AMINO-3-(4-METHOXYPHENYL)ISOXAZOLE 9& is of interest in the field of medicinal chemistry due to its potential to interact with biological targets and exhibit pharmacological properties.

86685-98-5

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86685-98-5 Usage

Uses

Used in Pharmaceutical Research:
5-AMINO-3-(4-METHOXYPHENYL)ISOXAZOLE 9& is used as a precursor in the synthesis of isoxazole-based primary monoand bis-sulfonamides. These compounds are of interest for their potential inhibitory activity against human carbonic anhydrase enzymes, which are implicated in various diseases and conditions. The development of effective inhibitors can lead to the creation of new therapeutic agents for treating such diseases.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 5-AMINO-3-(4-METHOXYPHENYL)ISOXAZOLE 9& serves as a building block for designing and optimizing new molecules with improved binding affinity and selectivity towards carbonic anhydrase enzymes. This can result in the discovery of novel drugs with enhanced efficacy and reduced side effects.
Used in Drug Development:
5-AMINO-3-(4-METHOXYPHENYL)ISOXAZOLE 9& is utilized in the process of drug development to create new chemical entities that can modulate the activity of carbonic anhydrase enzymes. These new entities may offer therapeutic benefits in treating a range of conditions, including glaucoma, obesity, and certain types of cancer, by targeting the specific isoforms of carbonic anhydrase involved in these diseases.
Used in Biochemical Studies:
5-AMINO-3-(4-METHOXYPHENYL)ISOXAZOLE 9& is also used in biochemical studies to investigate the structure-activity relationship (SAR) of isoxazole-based sulfonamides. Understanding the SAR can provide insights into the molecular interactions between these inhibitors and their target enzymes, which can guide the design of more potent and selective inhibitors for therapeutic applications.
Overall, 5-AMINO-3-(4-METHOXYPHENYL)ISOXAZOLE 9& plays a significant role in the development of new pharmaceutical agents targeting carbonic anhydrase enzymes, with potential applications in various therapeutic areas.

Check Digit Verification of cas no

The CAS Registry Mumber 86685-98-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,6,6,8 and 5 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 86685-98:
(7*8)+(6*6)+(5*6)+(4*8)+(3*5)+(2*9)+(1*8)=195
195 % 10 = 5
So 86685-98-5 is a valid CAS Registry Number.
InChI:InChI=1/C10H10N2O2/c1-13-8-4-2-7(3-5-8)9-6-10(11)14-12-9/h2-6H,11H2,1H3

86685-98-5 Well-known Company Product Price

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  • Aldrich

  • (644951)  5-Amino-3-(4-methoxyphenyl)isoxazole  97%

  • 86685-98-5

  • 644951-1G

  • 1,295.19CNY

  • Detail
  • Aldrich

  • (644951)  5-Amino-3-(4-methoxyphenyl)isoxazole  97%

  • 86685-98-5

  • 644951-5G

  • 5,028.66CNY

  • Detail

86685-98-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(4-methoxyphenyl)-1,2-oxazol-5-amine

1.2 Other means of identification

Product number -
Other names 3-(4-methoxyphenyl)isoxazol-5-amine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:86685-98-5 SDS

86685-98-5Downstream Products

86685-98-5Relevant academic research and scientific papers

An enantioselective aza-Friedel-Crafts reaction of 5-aminoisoxazoles with isatin-derived: N -Boc ketimines

Liu, Hui,Yan, Yingkun,Li, Min,Zhang, Xiaomei

supporting information, p. 3820 - 3824 (2021/05/14)

By employing a chiral phosphoric acid as a catalyst, an enantioselective aza-Friedel-Crafts reaction of 5-aminoisoxazoles with isatin-derived N-Boc ketimines was realized. The reaction provided a wide variety of novel 3-isoxazole 3-amino-oxindoles with good yields (up to 99%) and moderate to good enantioselectivities (up to 99%). The absolute configuration of one product was assigned by X-ray crystal structural analysis and a plausible reaction mechanism was proposed. In addition, a scale-up reaction was performed successfully. Finally, one product was subjected to Suzuki-Miyaura coupling with phenylboronic acid to afford the product in a moderate yield without erosion of the enantioselectivity. This journal is

HIGHLY POTENT TACC3 INHIBITOR AS A NOVEL ANTICANCER DRUG CANDIDATE

-

, (2020/02/14)

The present invention relates to a new inhibitor chemotype 3-(4-methoxyphenyl)-N-(2-morpholinopyrimidin-4-yl) isoxazol-5-amine (BO-264) targeting TACC3 protein with high potency as a mitotic blocker for the treatment of breast and potentially other cancers.

Identification of diphenylalkylisoxazol-5-amine scaffold as novel activator of cardiac myosin

Boggu, Pulla Reddy,Venkateswararao, Eeda,Manickam, Manoj,Sharma, Niti,Kang, Jong Seong,Jung, Sang-Hun

, (2020/09/16)

To identify novel potent cardiac myosin activator, a series of diphenylalkylisoxazol-5-amine compounds 4–7 have been synthesized and evaluated for cardiac myosin ATPase activation. Among the 37 compounds, 4a (CMA at 10 μM = 81.6%), 4w (CMA at 10 μM = 71.2%) and 6b (CMA at 10 μM = 67.4%) showed potent cardiac myosin activation at a single concentration of 10 μM. These results suggested that the introduction of the amino-isoxazole ring as a bioisostere for urea group is acceptable for the cardiac myosin activation. Additional structure–activity relationship (SAR) studies were conducted. Para substitution (-Cl, –OCH3, -SO2N(CH3)2) to the phenyl rings or replacement of a phenyl ring with a heterocycle (pyridine, piperidine and tetrahydropyran) appeared to attenuate cardiac myosin activation at 10 μM. Additional hydrogen bonding acceptor next to the amino group of the isoxazoles did not enhance the activity. The potent isoxazole compounds showed selectivity for cardiac myosin activation over skeletal and smooth muscle myosin, and therefore these potent and selective isoxazole compounds could be considered as a new series of cardiac myosin ATPase activators for the treatment of systolic heart failure.

Reactions of 5-Aminoisoxazoles with α-Diazocarbonyl Compounds: Wolff Rearrangement vs N-H Insertion

Ge, Yun,Sun, Wangbin,Chen, Yang,Huang, Yulin,Liu, Zhuang,Jiang, Yaojia,Loh, Teck-Peng

, p. 2676 - 2688 (2019/02/26)

A highly chemoselective reaction between 5-aminoisoxazoles and α-diazocarbonyl compounds has been described. Both Wolff rearrangement and N-H insertion products can be obtained selectively by the judicious choice of reaction conditions. In the case of the

Hoveyda-Grubbs II Catalyst: A Useful Catalyst for One-Pot Visible-Light-Promoted Ring Contraction and Olefin Metathesis Reactions

Ge, Yun,Sun, Wangbin,Pei, Bingbing,Ding, Jia,Jiang, Yaojia,Loh, Teck-Peng

supporting information, p. 2774 - 2777 (2018/05/22)

A one-pot reaction to synthesize functionalized 2H-azirines through visible-light-mediated ring contraction and olefin metathesis of isoxazoles is described. Hoveyda-Grubbs II catalyst was found to function as a photocatalyst for these transformations, al

Human carbonic anhydrase inhibitory profile of mono- and bis-sulfonamides synthesized via a direct sulfochlorination of 3- and 4-(hetero)arylisoxazol-5-amine scaffolds

Krasavin, Mikhail,Korsakov, Mikhail,Zvonaryova, Zhanna,Semyonychev, Evgenii,Tuccinardi, Tiziano,Kalinin, Stanislav,Tan?, Muhammet,Supuran, Claudiu T.

, p. 1914 - 1925 (2017/03/08)

Three distinct series of isoxazole-based primary mono- and bis-sulfonamides have been synthesized via direct sulfochlorination, each of them delivering nanomolar inhibitors of human carbonic anhydrase. Certain pronounced SAR trends have been established a

Umpolung Strategy for Synthesis of β-Ketonitriles through Hypervalent Iodine-Promoted Cyanation of Silyl Enol Ethers

Shen, Hang,Li, Jiaqiang,Liu, Qing,Pan, Jing,Huang, Ruofeng,Xiong, Yan

, p. 7212 - 7218 (2015/07/28)

An efficient method to synthesize β-ketonitriles from silyl enol ethers by an umploung hypervalent iodine(III)-CN species generated in situ from PhIO/BF3·Et2O/TMSCN has been developed for the first time. This method can be applied to structurally diverse aromatic and aliphatic substrates and further extended to preparation of bioactive compounds like 5-aminopyrazole and 5-aminoisoxazole.

The study of reactions of α-chlorocinnamonitriles with hydroxylamine

Nenajdenko,Golubinskii,Lenkova,Shastin,Balenkova

, p. 1728 - 1732 (2007/10/03)

The E-isomers of α-chlorocinnamonitriles react with hydroxylamine to give a mixture of isomeric aminoisoxazoles, while the Z-isomers yield 3-aryl-2-chloroacrylamide oximes.

A modified procedure for the synthesis of 5-amino-3-arylisoxazoles and their reactions with tetrasulfur tetranitride antimony(V) chloride complex (S4N4·SbCl5): Novel synthesis of 3-aryl-1,2,5-thiadiazole-4-carboxamides

Kong, Yung Cheol,Kim, Kyongtae,Park, Yung Ja

, p. 75 - 89 (2007/10/03)

Dropwise addition of α-bromo ketoximes to a solution of KCN in MeOH at room temperature gave 5-amino-3-arylisoxazoles in moderate to good yields. Treatment of the isoxazoles prepared with tetrasulfur tetranitride antimony (V) chloride complex (S4N4·SbCl5) in toluene at 100°C afforded novel 3-aryl-1,2,5-thiadiazole-4-carboxamides.

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