(4-溴-2-硝基苯氧基)乙酸乙酯 | 528892-33-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (4-溴-2-硝基苯氧基)乙酸乙酯
• 英文名称: 4-bromo-2-nitrophenoxyacetic acid ethyl ester
• 英文别名: (4-bromo-2-nitrophenoxy)acetic acid ethyl ester；ethyl (4-bromo-2-nitrophenoxy)acetate；Ethyl 2-(4-bromo-2-nitrophenoxy)acetate
• CAS: 528892-33-3
• 化学式: C₁₀H₁₀BrNO₅
• 分子量: 304.097
• InChiKey: SRRPEZQNZGHKTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 储存条件：
  储存条件：室温、密封保存，并保持干燥。

反应信息

• 作为反应物：
  描述：

  (4-溴-2-硝基苯氧基)乙酸乙酯 在 铁粉 作用下， 以 溶剂黄146 为溶剂， 反应 48.0h， 以81%的产率得到6-溴-2H-1,4-苯并噁嗪-3(4H)-酮
  参考文献：
  名称：

  [EN] BENZOXAZINE AND BENZOXAZINONE SUBSTITUTED TRIAZOLES
  [FR] TRIAZOLES A SUBSTITUTION BENZOXAZINE ET BENZOXAZINONE

  摘要：

  该发明涉及取代三唑的苯并噁嗪和苯并噁嗪酮，它们是转化生长因子（TGF）-ß信号通路的抑制剂，特别是通过TGF-β类型I或类活素激酶（ALK）-5受体对smad2或smad3的磷酸化，以及它们的制备方法和在医学上的应用，特别是在治疗和预防通过这一途径介导的疾病状态。

  公开号：

  WO2003097639A1
• 作为产物：
  描述：

  4-溴-2-硝基苯酚 、 溴乙酸乙酯 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 16.0h， 生成 (4-溴-2-硝基苯氧基)乙酸乙酯
  参考文献：
  名称：

  WO2007/77961

  摘要：

  公开号：

文献信息

• Benzoxazin-3-ones and derivatives thereof as therapeutic agents
  申请人：——

  公开号：US20040121996A1

  公开（公告）日：2004-06-24

  The present invention provides compounds of Formula I 1 wherein W, Q, E, D, R 6 , R 7 , R 8 , Y, K, R 9 , R 10 , R 12 , G, and the double bond denoted “*” have any of the values defined therefore in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents in the treatment of diseases and conditions, including inflammatory diseases, cardiovascular diseases, and cancers. Also provided are pharmaceutical compositions comprising one or more compounds of Formula I.

  本发明提供了I式化合物，其中W，Q，E，D，R6，R7，R8，Y，K，R9，R10，R12，G和表示为“*”的双键具有规范中定义的任何值，并且其药学上可接受的盐，可用作治疗疾病和病症的药物，包括炎症性疾病，心血管疾病和癌症。还提供了包含一种或多种I式化合物的制药组合物。
• Thiazolyl substituted triazoles as alk5 inhibitors
  申请人：——

  公开号：US20040266842A1

  公开（公告）日：2004-12-30

  Thiazolyl substituted triazoles of formula (I) 1 wherein R 1 is naphthyl or phenyl optionally substituted with one or more substituents selected from halo, —O—C 1-6 alkyl, —S—C 1-6 alkyl, C 1-6 alkyl, C 1-6 haloalkyl, —O—(CH 2 ) n —Ph, —S—(CH 2 ) n —Ph, cyano, phenyl, and CO 2 R, wherein R is hydrogen or C 1-6 alkyl, and n is 0, 1, 2 or 3; or R 1 is phenyl fused with an aromatic or non-aromatic cyclic ring of 5-7 members wherein said cyclic ring optionally contains up to three heteroatoms, independently selected from N, O and S, and N may be further optionally substituted by C 1-6 alkyl, and wherein the cyclic ring may be optionally substituted by ═O; or R 1 is pyridyl fused with an aromatic or non-aromatic cyclic ring of 5-7 members wherein said cyclic ring optionally contains up to three heteroatoms, independently selected from N, O and S, and N may be further optionally substituted by C 1-6 alkyl, and wherein the cyclic ring may be optionally substituted by ═O; R 2 is H, C 1-6 alkyl, C 1-6 alkoxy, phenyl, NH(CH 2 ) n —Ph, NH—C 1-6 alkyl, halo, CN, NO 2 , CONHR and SO 2 NHR; two of X 1 , X 2 and X 3 are N and the other is NR 3 wherein R 3 is hydrogen, C 1-6 alkyl, C 3-7 cycloalkyl, —(CH 2 ) p —CN, —(CH 2 ) p —CO 2 H, —(CH 2 ) p —CONHR 4 R 5 , —(CH) p COR 4 , —(CH 2 ) q (OR 6 ) 2 , —(CH 2 ) p OR 4 , —(CH 2 ) q CH═CH—CN, —(CH 2 ) q —CH═CH—CO 2 H, —(CH 2 ) p —CH═CH—CONHR 4 R 5 , —(CH 2 ) p NHCOR 7 or —(CH 2 ) p NR 8 R 9 ; R 4 and R 5 are independently hydrogen or C 1-6 alkyl; R 6 is C 1-6 alkyl; R 7 is C 1-7 alkyl, or optionally substituted aryl, heteroaryl, arylC 1-6 alkyl or heteroarylC 1-6 alkyl; R 8 and R 9 are independently selected from hydrogen, C 1-6 alkyl, aryl and arylC 1-6 alkyl; p is 0-4; and q is 1-4 and salts and solvates thereof, are disclosed, as are methods for their preparation, pharmaceutical compositions containing them and their use in medicine.

  公式（I）中的噻唑基取代的三唑化合物1，其中R1是萘基或苯基，可选地取代一种或多种取代基，所选取代基包括卤素，—O—C1-6烷基，—S—C1-6烷基，C1-6烷基，C1-6卤代烷基，—O—（CH2）n—Ph，—S—（CH2）n—Ph，氰基，苯基和CO2R，其中R是氢或C1-6烷基，n为0，1，2或3；或者R1是与5-7个成员的芳香或非芳香环状环融合的苯基，所述环状环可选地包含高达三个杂原子，独立选择自N，O和S，其中N可以进一步选自C1-6烷基取代，环状环可以可选地被═O取代；或者R1是与5-7个成员的芳香或非芳香环融合的吡啶基，所述环状环可选地包含高达三个杂原子，独立选择自N，O和S，其中N可以进一步选自C1-6烷基取代，环状环可以可选地被═O取代；R2是H，C1-6烷基，C1-6烷氧基，苯基，NH（CH2）n—Ph，NH—C1-6烷基，卤素，CN，NO2，CONHR和SO2NHR；X1、X2和X3中的两个是N，另一个是NR3，其中R3是氢，C1-6烷基，C3-7环烷基，—（CH2）p—CN，—（CH2）p—CO2H，—（CH2）p—CONHR4R5，—（CH）pCOR4，—（CH2）q（OR6）2，—（CH2）pOR4，—（CH2）qCH═CH—CN，—（CH2）q—CH═CH—CO2H，—（CH2）p—CH═CH—CONHR4R5，—（CH2）pNHCOR7或—（CH2）pNR8R9；R4和R5独立选择自氢或C1-6烷基；R6是C1-6烷基；R7是C1-7烷基，或可选地取代芳基，杂芳基，芳基C1-6烷基或杂芳基C1-6烷基；R8和R9独立选择自氢，C1-6烷基，芳基和芳基C1-6烷基；p为0-4；q为1-4及其盐和溶剂化合物，以及它们的制备方法，包含它们的药物组合物以及它们在医学上的使用。
• Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands
  申请人：Fukumoto Shoji

  公开号：US20090253687A1

  公开（公告）日：2009-10-08

  The present invention relates to wherein each symbol is as defined in the specification. The compound has a superior mineral corticoidreceptorantagonistic action and is useful as an agent for the prophylaxis or treatment of hypertension, cardiac failure and the like, a compound having a fused heterocycle, or a prodrug thereof, or a salt thereof; and an agent for the prophylaxis or treatment of hypertension, cardiac failure and the like.

  本发明涉及其中每个符号如规范所定义的化合物，该化合物具有优越的矿物质皮质激素受体拮抗作用，可作为预防或治疗高血压、心力衰竭等药物，包括具有融合杂环的化合物、其前药或其盐；以及预防或治疗高血压、心力衰竭等疾病的药剂。
• Antimicrobial Compounds and Methods of Making and Using the Same
  申请人：Duffy Erin M.

  公开号：US20120202792A1

  公开（公告）日：2012-08-09

  The present invention relates generally to the field of antimicrobial compounds and to methods of making and using them. These compounds are useful for treating, preventing, and/or reducing the risk of microbial infections in humans and animals.

  本发明通常涉及抗微生物化合物领域，以及制备和使用它们的方法。这些化合物对于治疗、预防和/或降低人类和动物微生物感染的风险是有用的。
• Antimicrobial compounds and methods of making and using the same
  申请人：Duffy Erin M.

  公开号：US09023843B2

  公开（公告）日：2015-05-05

  The present invention relates generally to the field of antimicrobial compounds and to methods of making and using them. These compounds are useful for treating, preventing, and/or reducing the risk of microbial infections in humans and animals.

  本发明通常涉及抗微生物化合物领域以及制备和使用这些化合物的方法。这些化合物可用于治疗、预防和/或减少人类和动物微生物感染的风险。