4-chloro-5-methylisoxazol-3-amine | 5819-39-6

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 4-chloro-5-methylisoxazol-3-amine
• 英文别名: 3-Amino-4-chlor-5-methyl-isoxazol；4-chloro-5-methyl-3-aminoisoxazole；4-Chloro-5-methyl-isoxazol-3-ylamine；4-chloro-5-methyl-1,2-oxazol-3-amine
• CAS: 5819-39-6
• 化学式: C₄H₅ClN₂O
• 分子量: 132.549
• InChiKey: DWVOVXRNQIXUEE-UHFFFAOYSA-N

物化性质

• 熔点：
  91-91.5 °C(Solv: cyclohexane (110-82-7))
• 沸点：
  249.2±35.0 °C(Predicted)
• 密度：
  1.381±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  52
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  4-chloro-5-methylisoxazol-3-amine 、 Azobenzol-4,4'-disulfochlorid 以 吡啶 为溶剂， 反应 5.0h， 生成 N,N'-bis-(4-chloro-5-methyl-isoxazol-3-yl)-4,4'-diazenediyl-bis-benzenesulfonamide
  参考文献：
  名称：

  [异恶唑的衍生物。二。N-1-酰基磺酰二唑的合成，结构及其同系物]

  摘要：

  3-amino-4-halo-5-methyl-isoxazol 的双磺酰基衍生物的结构被化学证实为 3 位上相应的双磺酰基亚胺，不可能是 2-(2-磺酰基)-3-halo-5-methyl-isoxazolin-4-like 化合物。本研究提出了一种以 4-硝基-N-(5-甲基-3-异恶唑基)-苯磺酰胺为起点，通过碘化、酰化和硝基还原伯胺等步骤制备 N1-乙酰化或苯甲酰化磺胺碘唑的新方法。

  DOI：

  10.1248/cpb.14.280
• 作为产物：
  描述：

  3-氨基-5-甲基异恶唑 在 N-氯代丁二酰亚胺 、 溶剂黄146 作用下， 反应 0.75h， 生成 4-chloro-5-methylisoxazol-3-amine
  参考文献：
  名称：

  Proposal for crystallization of 3-amino-4-halo-5-methylisoxazoles: an energetic and topological approach

  摘要：

  研究了3-氨基-4-卤代-5-甲基异噁唑（卤代物为Cl、Br和I）的超分子结构，以便提出有机分子结晶的途径。

  DOI：

  10.1039/c5ce01295c

文献信息

• N-heteroaryl aryl-substituted thienyl-furyl-and pyrrolyl-sulfonamides and derviatives thereof that modulate the activity of endothelin
  申请人：Texas Biotechnology Corporation

  公开号：US06420567B1

  公开（公告）日：2002-07-16

  Thienyl-, furyl- and pyrrolyl-sulfonamides, formulations of pharmaceutically-acceptable salts thereof and methods for modulating or altering the activity of the endothelin family of peptides are provided. In particular, N-(isoxazolyl)thienylsulfonamides, N-(isoxazolyl)furylsulfonamides and N-(isoxazolyl)pyrrolylsulfonamides, formulations thereof and methods using these sulfonamides for inhibiting the binding of an endothelin peptide to an endothelin receptor by contacting the receptor with the sulfonamide are provided. Methods for treating endothelin-mediated disorders by administering effective amounts of one or more of these sulfonamides or prodrugs thereof that inhibit the activity of endothelin are also provided.

  噻吩基、呋喃基和吡咯基磺酰胺，以及它们的药物可接受盐的配方，以及调节或改变内皮素肽家族活性的方法。特别是，提供N-(异恶唑基)噻吩磺酰胺、N-(异恶唑基)呋喃磺酰胺和N-(异恶唑基)吡咯磺酰胺，它们的配方以及使用这些磺酰胺通过将受体与磺酰胺接触来抑制内皮素肽与内皮素受体结合的方法。还提供了通过给予有效量的一个或多个这些磺酰胺或抑制内皮素活性的前药来治疗内皮素介导的疾病的方法。
• Thieno-pyridine sulfonamides derivatives thereof and related compounds
  申请人：Texas Biotechnology Corporation

  公开号：US05804585A1

  公开（公告）日：1998-09-08

  Methods, compositions, and compounds for modulating the activity of an endothelin peptide are provided. The methods use compositions that contain compounds that include those of the formula: ##STR1## where X is selected from groups that include O, S, and NH; Y is selected from O.sup.+ and N, and R.sup.1 and R.sup.2 are each selected independently from among alkyl, lower alkenyl, lower alkynyl, lower haloalkyl, halide, pseudohalide or H, except that R.sup.2 is not halide. R.sup.3, R.sup.4 and R.sup.5 are selected from among groups that include hydrogen, halide, alkoxy, alkyl, haloalkyl; and R.sup.7 is selected from groups that include (CH.sub.2).sub.r R.sup.18, in which r is 0 to 6 and R.sup.18 is selected from groups that include aryl, particularly pyrmidinyl and phenyl. The methods are effected by contacting endothelin receptors with one or more of the compounds or with compositions containing one or more of the compounds prior to, simultaneously with, or subsequent to contacting the receptors with an endothelin peptide.

  提供了调节内皮素肽活性的方法、组合物和化合物。这些方法使用含有以下式的化合物的组合物：##STR1## 其中X从包括O、S和NH的基团中选择；Y从O.sup.+和N中选择，R.sup.1和R.sup.2各自独立地从烷基、低烯烃基、低炔烃基、低卤代烷基、卤代基、伪卤代基或H中选择，但R.sup.2不是卤代基。R.sup.3、R.sup.4和R.sup.5从包括氢、卤代基、烷氧基、烷基、卤代烷基的基团中选择；R.sup.7从包括(CH.sub.2).sub.r R.sup.18的基团中选择，其中r为0到6，R.sup.18从包括芳基、特别是吡啶基和苯基的基团中选择。这些方法通过在接触内皮素受体之前、同时或之后与一种或多种化合物或含有一种或多种化合物的组合物接触来实现。
• THIENO-PYRIDINE SULFONAMIDES DERIVATIVES THEREOF AND RELATED COMPOUNDS THAT MODULATE THE ACTIVITY OF ENDOTHELIN
  申请人：——

  公开号：US20010014684A1

  公开（公告）日：2001-08-16

  Methods, compositions, and compounds for modulating the activity of an endothelin peptide are provided. The methods use compositions that contain compounds that include those of the formula: 1 where X is selected from groups that include O, S, and NH; Y is selected from O + and N, and R 1 and R 2 are each selected independently from among alkyl, lower alkenyl, lower alkynyl, lower haloalkyl, halide, pseudohalide or H, except that R 2 is not halide. R 3 , R 4 and R 5 are selected from among groups that include hydrogen, halide, alkoxy, alkyl, haloalkyl; and R 7 is selected from groups that include (CH 2 ) r R 18 , in which r is 0 to 6 and R 18 is selected from groups that include aryl, particularly pyrimidinyl and phenyl. The methods are effected by contacting endothelin receptors with one or more of the compounds or with compositions containing one or more of the compounds prior to, simultaneously with, or subsequent to contacting the receptors with an endothelin peptide.

  本发明提供了用于调节内皮素肽活性的方法、组合物和化合物。该方法使用包含下列公式1中化合物的组合物：其中X选自包括O、S和NH的基团；Y选自O+和N，R1和R2各自独立地选自烷基、较低烯基、较低炔基、较低卤代烷基、卤素、伪卤素或H，但R2不是卤素。R3、R4和R5选自包括氢、卤素、烷氧基、烷基、卤代烷基的基团；R7选自包括(CH2)rR18的基团，其中r为0到6，R18选自包括芳基，特别是嘧啶基和苯基的基团。该方法通过在与内皮素肽接触之前、同时或之后将内皮素受体与一个或多个化合物或包含一个或多个化合物的组合物接触来实现。
• Thieno-pyridine sulfonamides derivatives thereof and related compounds that modulate the activity of endothelin
  申请人：——

  公开号：US20020028829A1

  公开（公告）日：2002-03-07

  Methods, compositions, and compounds for modulating the activity of an endothelin peptide are provided. The methods use compositions that contain compounds that include those of the formula: 1 where X is selected from groups that include O, S, and NH; Y is selected from O + and N, and R 1 and R 2 are each selected independently from among alkyl, lower alkenyl, lower alkynyl, lower haloalkyl, halide, pseudohalide or H, except that R 2 is not halide. R 3 , R 4 and R 5 are selected from among groups that include hydrogen, halide, alkoxy, alkyl, haloalkyl; and R 7 is selected from groups that include (CH 2 ),R 18 , in which r is 0 to 6 and R 18 is selected from groups that include aryl, particularly pyrmidinyl and phenyl. The methods are effected by contacting endothelin receptors with one or more of the compounds or with compositions containing one or more of the compounds prior to, simultaneously with, or subsequent to contacting the receptors with an endothelin peptide.

  提供用于调节内皮素肽活性的方法、组合物和化合物。这些方法使用含有化合物的组合物，所述化合物包括下式中的化合物：1，其中X从包括O、S和NH的基团中选择；Y从O+和N中选择，R1和R2各自独立地从烷基、较低的烯基、较低的炔基、较低的卤代烷基、卤素、伪卤素或H中选择，但R2不是卤素。R3、R4和R5从包括氢、卤素、烷氧基、烷基、卤代烷基的基团中选择；R7从包括(CH2)、R18的基团中选择，其中r为0到6，R18从包括芳基，特别是吡啶基和苯基的基团中选择。这些方法通过在接触内皮素受体之前、同时或之后使用含有一种或多种化合物的组合物与内皮素肽受体接触来实现。
• Use of thieno-pyridine sulfonamides derivatives thereof and related compounds that modulate the activity of endothelin
  申请人：Texas Biotechnology Corporation.

  公开号：US06329387B2

  公开（公告）日：2001-12-11

  Methods, compositions, and compounds for modulating the activity of an endothelin peptide are provided. The methods use compositions that contain compounds that include those of the formula: where X is selected from groups that include O, S, and NH; Y is selected from O+ and N, and R1 and R2 are each selected independently from among alkyl, lower alkenyl, lower alkynyl, lower haloalkyl, halide, pseudohalide or H, except that R2 is not halide. R3, R4 and R5 are selected from among groups that include hydrogen, halide, alkoxy, alkyl, haloalkyl; and R7 is selected from groups that include (CH2)rR18, in which r is 0 to 6 and R18 is selected from groups that include aryl, particularly pyrimidinyl and phenyl. The methods are effected by contacting endothelin receptors with one or more of the compounds or with compositions containing one or more of the compounds prior to, simultaneously with, or subsequent to contacting the receptors with an endothelin peptide.

  本发明提供了用于调节内皮素肽活性的方法、组合物和化合物。该方法使用含有以下化合物的组合物：其中X从包括O、S和NH的群体中选择；Y从O+和N中选择，R1和R2各自独立地从烷基、低烯丙基、低炔基、低卤代烷基、卤素、伪卤素或H中选择，但R2不是卤素。R3、R4和R5从氢、卤素、烷氧基、烷基、卤代烷基等群体中选择；R7从(CH2)rR18的群体中选择，其中r为0到6，R18从芳基中选择，特别是嘧啶基和苯基。该方法通过在将内皮素受体与一种或多种化合物或含有一种或多种化合物的组合物接触之前、同时或之后接触内皮素肽来实现。