2-chloro-benzene-1,3,5-triyltriamine | 360779-08-4

• 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: 2-chloro-benzene-1,3,5-triyltriamine
• 英文别名: 2-Chlor-benzen-1,3,5-triyltriamin；2-Chlor-1.3.5-triamino-benzol；2-chloro-1,3,5-triaminobenzene；2-chlorobenzene-1,3,5-triamine
• CAS: 360779-08-4
• 化学式: C₆H₈ClN₃
• 分子量: 157.603
• InChiKey: USRUADMTSBLIML-UHFFFAOYSA-N

物化性质

• 熔点：
  93.2-94.3 °C
• 沸点：
  373.4±37.0 °C(Predicted)
• 密度：
  1.456±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.1
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-chloro-benzene-1,3,5-triyltriamine 、 苯甲酰氯 在 alkaline solution 作用下， 生成 N,N',N''-(chloro-benzene-1,3,5-triyl)-tris-benzamide
  参考文献：
  名称：

  374.制备对称的芳族三胺和三异氰酸酯

  摘要：

  DOI：

  10.1039/jr9490001753
• 作为产物：
  描述：

  2,4,6-三硝基氯苯 在 盐酸 、 tin(ll) chloride 作用下， 生成 2-chloro-benzene-1,3,5-triyltriamine
  参考文献：
  名称：

  Heertjes, Recueil des Travaux Chimiques des Pays-Bas, 1959, vol. 78, p. 452,457

  摘要：

  DOI：

文献信息

• Functional radiographic imaging methods and agents
  申请人：——

  公开号：US20010031035A1

  公开（公告）日：2001-10-18

  Systems and methods for radiographic imaging of tissue using a radio-opaque imaging agent that in one embodiment accumulates intracellularly in tissue in proportion to its functional, or physiological, activity. In one embodiment, the imaging agent is a cell membrane-permeable, radio-opaque, high affinity ligand for an intracellular target. The imaging agent is administered to a patient, and after an accumulation interval, radiographic images are acquired. The imaging agent preferentially accumulates in certain types of tissue and increases its radio-opacity. The tissue being examined is transilluminated by X-ray beams with preselected different mean energy spectra, and a separate radiographic image is acquired during transillumination by each beam. An image processing system may perform a weighted combination of the acquired images to produce a single displayed image. The system and method thus provides a functional image displayed with the anatomical detail and spatial resolution of a radiographic image. Functional and anatomical information are displayed in complete registration, facilitating localization of abnormal tissue in relation to nearby anatomical structures.

  一种放射性不透明成像剂的系统和方法，其中在一种实施例中，该成像剂在组织内以其功能或生理活性成比例地积累于细胞内。在一种实施例中，该成像剂是一种细胞膜可渗透、放射性不透明、对细胞内靶点具有高亲和力的配体。该成像剂被注入到患者体内，在积累时间间隔之后，进行放射性成像。该成像剂优先积累在某些类型的组织中并增加其放射性不透明度。所检查的组织通过预选不同平均能量谱的X射线束进行透照，并在每个束透照期间获取单独的放射性成像。图像处理系统可以对所获取的图像进行加权组合以生成单个显示图像。因此，该系统和方法提供了一个具有放射性成像图像的解剖细节和空间分辨率的功能图像。功能和解剖信息以完全对准的方式显示，有助于定位异常组织与附近解剖结构的关系。
• Radiographic assessment of tissue response to compounds
  申请人：——

  公开号：US20010038682A1

  公开（公告）日：2001-11-08

  Radiographic system and method for noninvasively assessing the response of tissue to a compound, such as a therapeutic compound, in vivo. In one embodiment, a non-radioactive, radio-opaque imaging agent accumulates in tissue in proportion to the tissue concentration of a predefined cellular target. The imaging agent is administered to a live organism, and after an accumulation interval, radiographic images are acquired. The tissue being examined is transilluminated by X-ray beams with preselected different mean energy spectra, and a separate radiographic image is acquired during transillumination by each beam. An image processing system performs a weighted combination of the acquired images to produce a first image. The image processing procedure isolates the radiographic density contributed solely by differential tissue accumulation of the imaging agent. A compound is administered to the organism, and after a selected interval, a second radiographic image of the tissue is acquired. Radiographic density contributed by accumulated imaging agent in corresponding areas of tissue in the first and second images are compared. Differences in radiographic density between the images reflect changes in the concentration of the cellular target that have occurred after administration of the compound. The system and method may be used to assess therapeutic efficacy of compounds in the drug discovery process, in clinical trials, and in the evaluation of clinical treatment. In other embodiments, pharmacological and toxicological effects of a wide variety of compounds on tissue in vivo may be noninvasively assessed.

  一种无创评估组织对化合物（如治疗化合物）反应的放射性系统和方法。在一种实施例中，一种非放射性、放射性不透明成像剂在组织中积累，其积累量与预定义的细胞靶点的组织浓度成比例。该成像剂被注入到活体生物中，在积累间隔后，获取放射性图像。正在检查的组织通过预选的不同平均能量谱的X射线束进行透光，并在每个束透光期间获取单独的放射性图像。图像处理系统执行获取的图像的加权组合以产生第一张图像。图像处理过程仅隔离由成像剂的差异组织积累贡献的放射性密度。将化合物注入生物体后，在选择的时间间隔后，获得组织的第二张放射性图像。比较第一张和第二张图像中相应区域的成像剂积累贡献的放射性密度。图像之间的放射性密度差异反映了化合物注入后细胞靶点浓度发生的变化。该系统和方法可用于评估药物发现过程中化合物的治疗效果，在临床试验中以及评估临床治疗中使用。在其他实施例中，可以无创评估广泛的化合物对活体组织的药理和毒理效应。
• Radiographic assessment of tissue after exposure to a compound
  申请人：——

  公开号：US20020039401A1

  公开（公告）日：2002-04-04

  Radiographic system and method for noninvasively assessing the response of tissue to a compound, such as a therapeutic compound. In one embodiment, a non-radioactive, radio-opaque imaging agent accumulates in tissue in proportion to the tissue concentration of a predefined cellular target. The imaging agent is administered to a live organism, and after an accumulation interval, radiographic images are acquired. The tissue being examined is transilluminated by X-ray beams with preselected different mean energy spectra, and a separate radiographic image is acquired during transillumination by each beam. An image processing system performs a weighted combination of the acquired images to produce a first image. The image processing procedure isolates the radiographic density contributed solely by differential tissue accumulation of the imaging agent. A compound is administered to the organism, and after a selected interval, a second radiographic image of the tissue is acquired. Radiographic density contributed by accumulated imaging agent in corresponding areas of tissue in the first and second images are compared. Differences in radiographic density between the images reflect changes in the concentration of the cellular target that have occurred after administration of the compound. The system and method may be used to assess therapeutic efficacy of compounds in the drug discovery process, in clinical trials, and in the evaluation of clinical treatment. In other embodiments, pharmacological and toxicological effects of a wide variety of compounds on tissue may be noninvasively assessed.

  一种放射性成像系统和方法，用于非侵入性地评估组织对化合物（如治疗性化合物）的反应。在一种实施例中，一种非放射性、放射性不透明成像剂在组织中积累，其积累量与预定义的细胞靶点的组织浓度成比例。将成像剂注入到活体生物中，在积累时间间隔后，获取放射性图像。使用预选的不同平均能量谱的X射线束透过要检查的组织，每束光线透过时获取一张单独的放射性图像。图像处理系统对获取的图像进行加权组合，生成第一张图像。图像处理过程仅隔离成像剂差异组织积累所贡献的放射性密度。将化合物注入生物体中，在选择的时间间隔后，获取组织的第二张放射性图像。比较第一和第二张图像中相应区域的成像剂积累所贡献的放射性密度。图像之间的放射性密度差异反映了化合物注入后细胞靶点浓度发生的变化。该系统和方法可用于评估药物发现过程中化合物的治疗效果，在临床试验和临床治疗评估中使用。在其他实施例中，可以非侵入性地评估各种化合物对组织的药理和毒理效应。
• RADIOGRAPHIC ASSESSMENT OF TISSUE RESPONSE TO COMPOUNDS
  申请人：Veritas Pharmaceuticals

  公开号：EP1263324B1

  公开（公告）日：2009-12-02
• FUNCTIONAL RADIOGRAPHIC IMAGING METHODS AND AGENTS
  申请人：Veritas Pharmaceuticals

  公开号：EP1263478A2

  公开（公告）日：2002-12-11