3-(4-sulfobutyl)-1,1,2-trimethyl-1H-benzo[e]indole | 138081-47-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-(4-sulfobutyl)-1,1,2-trimethyl-1H-benzo[e]indole
• 英文别名: 4-(1,1,2-Trimethyl-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonic acid；4-(1,1,2-trimethyl-2H-benzo[e]indol-3-yl)butane-1-sulfonic acid
• CAS: 138081-47-7
• 化学式: C₁₉H₂₅NO₃S
• 分子量: 347.478
• InChiKey: MHUPRHDWBWHQHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(4-sulfobutyl)-1,1,2-trimethyl-1H-benzo[e]indole 、 原甲酸三乙酯 在 吡啶 作用下， 反应 2.0h， 以88%的产率得到3,3'-di-(4-sulfobutyl)-1,1,1',1'-tetramethyl-di-1H-benz[e]indocarbocyanine
  参考文献：
  名称：

  Naphthocyanines for Use as Contrast Agents

  摘要：

  在芳香核上具有可选磺酸取代基团的青霉素染料已经被开发用作手术和诊断辅助对比剂，特别是为了简化眼睛基底膜的手术切除，例如内限膜（ILM），以及染色晶状体囊。

  公开号：

  US20130131354A1
• 作为产物：
  描述：

  1,1,2-三甲基-3-(4-硫代丁基)苯并[e]吲哚鎓内盐 在 硫酸 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 生成 3-(4-sulfobutyl)-1,1,2-trimethyl-1H-benzo[e]indole
  参考文献：
  名称：

  CN116332824

  摘要：

  公开号：

文献信息

• PYRIDAZINOINDOLE COMPOUNDS AND METHODS FOR PET IMAGING
  申请人：Vanderbilt University

  公开号：US20160220704A1

  公开（公告）日：2016-08-04

  Embodiments of the invention include a novel synthesis of the translocator protein (TSPO) ligands, and methods of imaging a molecular events. Also disclosed are compounds for treatment of diseases, including cancer.

  该发明的实施例包括一种新型的转位蛋白（TSPO）配体的合成方法，以及分子事件成像的方法。还披露了用于治疗疾病，包括癌症的化合物。
• Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging
  申请人：Bornhop J. Darryl

  公开号：US20060147379A1

  公开（公告）日：2006-07-06

  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。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。
• 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。
• Naphthocyanines for use as contrast agents
  申请人：Langhals Heinz

  公开号：US08835484B2

  公开（公告）日：2014-09-16

  Cyanine dyes having optional sulfonic acid substituents on the aromatic nucleus have been developed for use as contrast agents for assisting in surgery and diagnosis, especially for simplifying the surgical removal of basal membranes of the eye, such as the internal limiting membrane (ILM), and for dyeing the lens capsule.

  含有芳香核上可选磺酸取代基的青霉素染料已被开发用作辅助手术和诊断的对比剂，特别是用于简化眼睛的基底膜（如内限膜（ILM））的手术切除，并用于染色晶状体囊袋。
• DAA PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR CANCER IMAGING AND TREATMENT
  申请人：Bornhop Darryl J.

  公开号：US20100324130A1

  公开（公告）日：2010-12-23

  Peripheral Benzodiazepine Receptor (PBR) is an attractive target for tumor imaging and treatment due to its up-regulation in numerous cancer cell types. DAA1 106 is a selective PBR ligand with high binding affinity. Aspects of the present invention are series of functionalized DAA1 106 analogs, which can be conjugated to a variety of signaling and treatment moieties, and are widely applicable in PBR targeted molecular imaging and drug delivery.

  外周苯二氮平受体（PBR）是肿瘤成像和治疗的有吸引力的靶点，因为它在许多癌细胞类型中上调。DAA1 106是一种具有高结合亲和力的选择性PBR配体。本发明的方面是一系列功能化的DAA1 106类似物，可以与各种信号和治疗基团结合，并广泛应用于PBR靶向的分子成像和药物传递。