(4-Cyan-2-nitrophenyl)essigsaeure | 90178-58-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (4-Cyan-2-nitrophenyl)essigsaeure
• 英文别名: 2-nitro-4-cyano-phenylacetic acid；4-cyano-2-nitrobenzeneacetic acid；2-(4-Cyano-2-nitrophenyl)acetic acid
• CAS: 90178-58-8
• 化学式: C₉H₆N₂O₄
• 分子量: 206.158
• InChiKey: OOXKJWHAVIZEHI-UHFFFAOYSA-N

物化性质

• 沸点：
  403.2±40.0 °C(Predicted)
• 密度：
  1.47±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  (4-Cyan-2-nitrophenyl)essigsaeure 在 氢氟酸 作用下， 以 喹啉 为溶剂， 反应 20.0h， 生成 2-<4-(4-Cyanphenoxy)phenyl>indol-6-carbonitril
  参考文献：
  名称：

  抗菌双阳离子2-（苯氧基苯基）-吲哚和-1-苯并呋喃的合成

  摘要：

  为了抑制生长，合成了具有末端am基或咪唑啉基的十个2-（苯氧基苯基）吲哚和四个2-（苯氧基苯基）-1-苯并呋喃。

  DOI：

  10.1002/jlac.198419840302
• 作为产物：
  描述：

  4-氰基苯乙腈 在 盐酸 、 硫酸 、 硝酸 作用下， 反应 2.07h， 生成 (4-Cyan-2-nitrophenyl)essigsaeure
  参考文献：
  名称：

  抗菌双阳离子2-（苯氧基苯基）-吲哚和-1-苯并呋喃的合成

  摘要：

  为了抑制生长，合成了具有末端am基或咪唑啉基的十个2-（苯氧基苯基）吲哚和四个2-（苯氧基苯基）-1-苯并呋喃。

  DOI：

  10.1002/jlac.198419840302

文献信息

• FUROISOQUINOLINE DERIVATIVE AND USE THEREOF
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1541576A1

  公开（公告）日：2005-06-15

  The present invention provides a compound represented by the formula    wherein A represents (1) a bond, (2) a group represented by the formula -CRa=CRb- (Ra and Rb each represent a hydrogen atom or C1-6 alkyl) and the like; R1 represents (1) cyano or (2) an optionally esterified or amidated carboxyl group; R2 represents (1) a hydrogen atom, (2) an optionally substituted hydroxy group, (3) an optionally substituted amino group and the like; R3 and R4 each represent a hydrogen atom and the like; R5 represents a hydrogen atom and the like; R6 represents an optionally substituted hydroxy group and the like; R7and R8 each represent an optionally substituted hydrocarbon group and the like; R9 and R10 each represent (1) a hydrogen atom and the like; Y represents an optionally substituted methylene group; and n represents 0 or 1, or a salt thereof, which has an excellent phosphodiesterase IV inhibiting action.

  本发明提供了一种化合物，其表示为式中的化合物，其中A代表（1）键，（2）由式 -CRa=CRb-（Ra和Rb分别代表氢原子或C1-6烷基等）表示的基团等；R1代表（1）氰基或（2）可选择酯化或酰胺化的羧基；R2代表（1）氢原子，（2）可选择取代的羟基，（3）可选择取代的氨基等；R3和R4各自代表氢原子等；R5代表氢原子等；R6代表可选择取代的羟基等；R7和R8各自代表可选择取代的碳氢基团等；R9和R10各自代表（1）氢原子等；Y代表可选择取代的亚甲基基团；n代表0或1，或其盐，具有优异的磷酸二酯酶IV抑制作用。
• [EN] PROCESS FOR THE MANUFACTURE OF AN INDOLINONE DERIVATIVE<br/>[FR] PROCÉDÉ DE FABRICATION D'UN DÉRIVÉ D'INDOLINONE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2009071523A1

  公开（公告）日：2009-06-11

  The present invention relates to a process for the manufacture of a specific indolinone derivative and a pharmaceutically acceptable salt thereof, namely 3-Z-[1-(4-(N-((4-methyl-piperazin-1-yl)-methylcarbonyl)-N-methyl-amino)-anilino)-1-phenyl-methylene]-6-methoxycarbonyl-2-indolinone and its monoethanesulfonate, to new manufacturing steps and to new intermediates of this process.

  本发明涉及一种制备特定吲哚酮衍生物及其药用可接受盐的方法，即3-Z-[1-(4-(N-((4-甲基哌嗪-1-基)-甲酰基)-N-甲基氨基)-苯胺基)-1-苯基亚甲基]-6-甲氧羰基-2-吲哚酮及其单乙磺酸盐，以及该方法的新制造步骤和新中间体。
• Furoisoquinoline derivative and use thereof
  申请人：Inoue Yoshihisa

  公开号：US20060106048A1

  公开（公告）日：2006-05-18

  The present invention provides a compound represented by the formula wherein A represents (1) a bond, (2) a group represented by the formula —CR a ═CR b — (R a and R b each represent a hydrogen atom or C 1-6 alkyl) and the like; R 1 represents (1) cyano or (2) an optionally esterified or amidated carboxyl group; R 2 represents (1) a hydrogen atom, (2) an optionally substituted hydroxy group, (3) an optionally substituted amino group and the like; R 3 and R 4 each represent a hydrogen atom and the like; R 5 represents a hydrogen atom and the like; R 6 represents an optionally substituted hydroxy group and the like; R 7 and R 8 each represent an optionally substituted hydrocarbon group and the like; R 9 and R 10 each represent (1) a hydrogen atom and the like; Y represents an optionally substituted methylene group; and n represents 0 or 1, or a salt thereof, which has an excellent phosphodiesterase IV inhibiting action.

  本发明提供了一种化合物，其表示为以下式子：其中A代表（1）键合，（2）由以下式子表示的基团：—CRa═CRb—（Ra和Rb分别代表氢原子或C1-6烷基等）；R1代表（1）氰基或（2）可选酯化或酰胺化的羧基；R2代表（1）氢原子，（2）可选取代的羟基，（3）可选取代的氨基等；R3和R4各自代表氢原子等；R5代表氢原子等；R6代表可选取代的羟基等；R7和R8各自代表可选取代的烃基等；R9和R10各自代表（1）氢原子等；Y代表可选取代的亚甲基基团；n代表0或1，或其盐，具有优异的磷酸二酯酶IV抑制作用。
• HETERO COMPOUND
  申请人：HARADA Hironori

  公开号：US20090076070A1

  公开（公告）日：2009-03-19

  [Problems] To provide a useful compound as an active ingredient for a preventing and/or treating agent for rejection in the transplantation of an organ, bone marrow, or a tissue, an autoimmune disease, or the like, which has an excellent S1P 1 agonist activity. [Means for Solving] Since the compound of the invention has an S1P 1 agonist activity, it is useful as an active ingredient for a treating or preventing agent for a disease caused by unfavorable lymphocytic infiltration, for example, an autoimmune disease such as graft rejection in the transplantation of an organ, bone marrow, or a tissue, a graft-versus-host disease, rheumatic arthritis, multiple sclerosis, systemic lupus erythematosus, a nephrotic syndrome, encephalomeningitis, myasthenia gravis, pancreatitis, hepatitis, nephritis, diabetes, pulmonary disorder, asthma, atopic dermatitis, inflammatory bowel disease, atherosclerosis, ischemia-reperfusion injury, or an inflammatory disease, and further, a disease caused by the abnormal growth or accumulation of cells such as cancer and leukemia.

  [问题] 提供一种有优异S1P1激动剂活性的化合物，作为器官、骨髓或组织移植、自身免疫性疾病等引起的排异的预防和/或治疗剂的有效活性成分。 [解决方法] 由于本发明的化合物具有S1P1激动剂活性，因此可用作治疗或预防由不良淋巴细胞浸润引起的疾病的活性成分，例如器官、骨髓或组织移植的移植排斥、移植物抗宿主病、风湿性关节炎、多发性硬化症、全身性红斑狼疮、肾病综合症、脑脊髓炎、重症肌无力、胰腺炎、肝炎、肾炎、糖尿病、肺部疾病、哮喘、特应性皮炎、炎症性肠病、动脉粥样硬化、缺血再灌注损伤或异常细胞生长或积累引起的癌症和白血病等疾病。
• PROCESS FOR THE MANUFACTURE OF AN INDOLINONE DERIVATIVE
  申请人：Merten Joern

  公开号：US20110201812A1

  公开（公告）日：2011-08-18

  The present invention relates to a process for the manufacture of a specific indolinone derivative and a pharmaceutically acceptable salt thereof, namely 3-Z-[1-(4-(N-((4-methyl-piperazin-1-yl)-methylcarbonyl)-N-methyl-amino)-anilino)-1-phenyl-methylene]-6-methoxycarbonyl-2-indolinone and its monoethanesulfonate, to new manufacturing steps and to new intermediates of this process.

  本发明涉及一种特定吲哚酮衍生物及其药用可接受盐的制造方法，即3-Z-[1-(4-(N-((4-甲基哌嗪-1-基)-甲酰基)-N-甲基氨基)-苯胺基)-1-苯基亚甲基]-6-甲氧羰基-2-吲哚酮及其单乙磺酸盐，以及该过程的新制造步骤和新中间体。