benzenamine, 2,3-difluoro-N-(2-fluoro-4-iodophenyl)-6-nitro-5-(2-propen-1-yloxy) | 1287794-79-9

• 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: benzenamine, 2,3-difluoro-N-(2-fluoro-4-iodophenyl)-6-nitro-5-(2-propen-1-yloxy)
• 英文别名: (3-allyloxy-5,6-difluoro-2-nitrophenyl)-(2-fluoro-4-iodophenyl)-amine；(3-Allyloxy-5,6-difluoro-2-nitro-phenyl)-(2-fluoro-4-iodo-phenyl)-amine；2,3-difluoro-N-(2-fluoro-4-iodophenyl)-6-nitro-5-prop-2-enoxyaniline
• CAS: 1287794-79-9
• 化学式: C₁₅H₁₀F₃IN₂O₃
• 分子量: 450.156
• InChiKey: NXPSZCGSPRKTDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  67.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  benzenamine, 2,3-difluoro-N-(2-fluoro-4-iodophenyl)-6-nitro-5-(2-propen-1-yloxy) 在 Hoveyda-Grubbs catalyst second generation sodium dithionite 、 dimethyl sulfide borane 、 水 作用下， 以 四氢呋喃 、 1,1-二氯乙烷 、 乙醇 为溶剂， 反应 20.5h， 生成 10,11-difluoro-N-(2-fluoro-4-iodophenyl)-2,2-dioxospiro[4,5,6,7-tetrahydro-1H-8,2lambda6,1-benzoxathiazecine-3,1'-cyclopropane]-12-amine
  参考文献：
  名称：

  [EN] NOVEL MEK INHIBITORS, USEFUL IN THE TREATMENT OF DISEASES
  [FR] NOUVEAUX INHIBITEURS DE MEK, UTILES DANS LE TRAITEMENT DES MALADIES

  摘要：

  公开号：

  WO2011047055A8
• 作为产物：
  描述：

  3,4,5-三氟-2-硝基苯酚 在 potassium carbonate 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 20.0h， 生成 benzenamine, 2,3-difluoro-N-(2-fluoro-4-iodophenyl)-6-nitro-5-(2-propen-1-yloxy)
  参考文献：
  名称：

  [EN] NOVEL MEK INHIBITORS, USEFUL IN THE TREATMENT OF DISEASES
  [FR] NOUVEAUX INHIBITEURS DE MEK, UTILES DANS LE TRAITEMENT DES MALADIES

  摘要：

  公开号：

  WO2011047055A8

文献信息

• NOVEL MEK INHIBITORS USEFUL IN THE TREATMENT OF DISEASES
  申请人：Khire Uday R.

  公开号：US20120208859A1

  公开（公告）日：2012-08-16

  The invention pertains to compound of Formula (I) wherein X, Y, Z, R 1 , R 2 , R 3 , R 4 , A and A′ are as described hereinabove. Formula (I) and (II) compounds can be used in pharmaceutical compositions, useful for the treatment of diseases.

  本发明涉及式（I）的化合物，其中X，Y，Z，R1，R2，R3，R4，A和A'如上所述。式（I）和（II）化合物可用于制备药物组合物，用于治疗疾病。
• NOVEL MEK INHIBITORS FOR TREATING CARDIOMYOPATHIES AND RELATED CONDITIONS
  申请人：Allomek Therapeutics LLC

  公开号：US20150250762A1

  公开（公告）日：2015-09-10

  The invention pertains to compound of Formula (I) wherein X, Y, Z, R1, R2, R3, R4, A, and A′ are described herein. Formula (I) compounds can be used in pharmaceutical compositions, useful for the treatment of disease, in particular cardiovascular conditions and more particularly cardiomyopathies, as well as other related conditions.

  本发明涉及式（I）化合物，其中X、Y、Z、R1、R2、R3、R4、A和A'的描述在此处。式（I）化合物可用于制备药物组合物，用于治疗疾病，特别是心血管疾病，更特别是心肌病，以及其他相关疾病。
• MEK inhibitors useful in the treatment of diseases
  申请人：Khire Uday R.

  公开号：US09034861B2

  公开（公告）日：2015-05-19

  The invention pertains to compound of Formula (I) wherein X, Y, Z, R1, R2, R3, R4, A and A′ are as described hereinabove. Formula (I) and (II) compounds can be used in pharmaceutical compositions, useful for the treatment of diseases.

  本发明涉及化合物I的公式，其中X、Y、Z、R1、R2、R3、R4、A和A'的描述如上所述。公式（I）和（II）化合物可用于制备药物组合物，用于治疗疾病。
• Macrocyclic MEK1/2 inhibitor with efficacy in a mouse model of cardiomyopathy caused by lamin A/C gene mutation
  作者：Wei Wu、Mahendra D. Chordia、Barry P. Hart、E. Sathyajith Kumarasinghe、Min K. Ji、Ajay Bhargava、Michael W. Lawlor、Ji-Yeon Shin、Fusako Sera、Shunichi Homma、Antoine Muchir、Uday R. Khire、Howard J. Worman

  DOI：10.1016/j.bmc.2016.12.014

  日期：2017.2

  Signaling mediated by extracellular signal-regulated kinases I and 2 (ERK1/2) is involved in numerous cellular processes. Mitogen-activated protein kinase kinases (MEK1/2) catalyze the phosphorylation of ERK1/2, converting it into an active kinase that regulates the expression of numerous genes and cellular processes. Inhibitors of MEK1/2 have demonstrated preclinical and clinical efficacy in certain cancers and types of cardiomyopathy. We report the synthesis of a novel, allosteric, macrocyclic MEK1/2 inhibitor that potently inhibits ERIC1/2 activity in cultured cells and tissues of mice after systemic administration. Mice with dilated cardiomyopathy caused by a lamin A/C gene mutation have abnormally increased cardiac ERK1/2 activity. In these mice, this novel MEK1/2 inhibitor is well tolerated, improves left ventricular systolic function, decreases left ventricular fibrosis, has beneficial effects on skeletal muscle structure and pathology and prolongs survival. The novel MEK1/2 inhibitor described herein may therefore find clinical utility in the treatment of this rare cardiomyopathy, other types of cardiomyopathy and cancers in humans. (C) 2016 Elsevier Ltd. All rights reserved.
• NOVEL MEK INHIBITORS, USEFUL IN THE TREATMENT OF DISEASES
  申请人：Allostem Therapeutics LLC

  公开号：EP2488507B1

  公开（公告）日：2014-12-17