2-(7-Chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indol-1-yl)acetic acid | 393582-75-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2-(7-Chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indol-1-yl)acetic acid
• CAS: 393582-75-7
• 化学式: C₁₉H₁₄ClN₃O₃
• 分子量: 367.791
• InChiKey: WQKIBTYKPBPWLF-UHFFFAOYSA-N

物化性质

• 沸点：
  631.9±65.0 °C(Predicted)
• 密度：
  1.46±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[6-(甲氨基)己基]氨基甲酸叔丁酯 、 2-(7-Chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indol-1-yl)acetic acid 在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 作用下， 以 四氢呋喃 为溶剂， 生成 tert-butyl (6-(2-(7-chloro-5-methyl-4-oxo-3-phenyl-4,5-dihydro-3H-pyridazino[4,5-b]indol-1-yl)-N-methylacetamido)hexyl)carbamate
  参考文献：
  名称：

  Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging

  摘要：

  与近红外分子成像、体外和体内功能成像、治疗/疗效监测以及癌症和转移活动成像相关的化合物和方法。所展示的化合物和方法涉及外周苯二氮卓类受体成像领域、代谢成像、细胞呼吸成像、作为靶向药物的细胞增殖成像，这些药物包含信号代理。

  公开号：

  US20060147379A1
• 作为产物：
  描述：

  Benzyl 2-(7-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indol-1-yl)acetate 在 氢氧化钾 、 乙醇 作用下， 生成 2-(7-Chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indol-1-yl)acetic acid
  参考文献：
  名称：

  Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging

  摘要：

  与近红外分子成像、体外和体内功能成像、治疗/疗效监测以及癌症和转移活动成像相关的化合物和方法。所展示的化合物和方法涉及外周苯二氮卓类受体成像领域、代谢成像、细胞呼吸成像、作为靶向药物的细胞增殖成像，这些药物包含信号代理。

  公开号：

  US20060147379A1

文献信息

• AGENTS FOR THERAPY EFFICACY MONITORING AND DEEP TISSUE IMAGING
  申请人：Bornhop J. Darryl

  公开号：US20080031823A1

  公开（公告）日：2008-02-07

  Compounds and methods related to NIR molecular imaging, in-vitro and in-vivo functional imaging, therapy/efficacy monitoring, and cancer and metastatic activity imaging. Compounds and methods demonstrated pertain to the field of peripheral benzodiazepine receptor imaging, metabolic imaging, cellular respiration imaging, cellular proliferation imaging as targeted agents that incorporate signaling agents.

  与近红外分子成像、体外和体内功能成像、治疗/疗效监测以及癌症和转移活动成像相关的化合物和方法。展示的化合物和方法涉及外周苯二氮平受体成像、代谢成像、细胞呼吸成像、细胞增殖成像作为包含信号剂的靶向剂。
• DERIVES DE 4-OXO-3,5-DIHYDRO-4H-PYRIDAZINO[4,5-b]INDOLE-1-ACETAMIDE, LEUR PREPARATION ET LEUR APPLICATION EN THERAPEUTIQUE
  申请人：SANOFI-SYNTHELABO

  公开号：EP1000063B1

  公开（公告）日：2002-10-23
• UTILISATION DE DERIVES DE PYRIDAZINO ¬4,5-(b)|-INDOLE-1-ACETAMIDE POUR LA PREPARATION DE MEDICAMENTS DESTINES AUX MALADIES LIEES AU DYSFONCTIONNEMENT DES RECEPTEURS DE TYPE PERIPHERIQUE AUX BENZODIAZEPINES
  申请人：Sanofi-Aventis

  公开号：EP1148881B1

  公开（公告）日：2006-08-09
• TARGETED, NIR IMAGING AGENTS FOR THERAPY EFFICACY MONITORING, DEEP TISSUE DISEASE DEMARCATION AND DEEP TISSUE IMAGING
  申请人：Bornhop Darryl J.

  公开号：US20100278739A1

  公开（公告）日：2010-11-04

  Compounds and methods related to NIR molecular imaging, in-vitro and in-vivo functional imaging, therapy/efficacy monitoring, and cancer and metastatic activity imaging. Compounds and methods demonstrated pertain to the field of peripheral benzodiazepine receptor imaging, metabolic imaging, cellular respiration imaging, cellular proliferation imaging as targeted agents that incorporate signaling agents.
• Targeted, NIR Imaging Agents for Therapy Efficacy Monitoring, Deep Tissue Disease Demarcation and Deep Tissue Imaging
  申请人：Vanderbilt University

  公开号：US20130177502A1

  公开（公告）日：2013-07-11

  Compounds and methods related to NIR molecular imaging, in-vitro and in-vivo functional imaging, therapy/efficacy monitoring, and cancer and metastatic activity imaging. Compounds and methods demonstrated pertain to the field of peripheral benzodiazepine receptor imaging, metabolic imaging, cellular respiration imaging, cellular proliferation imaging as targeted agents that incorporate signaling agents.