3-Cyano-4-dimethylamino-benzaldehyd | 100655-27-4

• 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: 3-Cyano-4-dimethylamino-benzaldehyd
• 英文别名: 3-cyano-4-dimethylaminobenzaldehyde；2-(Dimethylamino)-5-formylbenzonitrile
• CAS: 100655-27-4
• 化学式: C₁₀H₁₀N₂O
• 分子量: 174.202
• InChiKey: QFGBDJDMBCDTFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  (2S,3R,4R,5S)-2-hydroxymethyl-3,4,5-piperidinetriol 、 3-Cyano-4-dimethylamino-benzaldehyd 在 (polystyrylmethyl)trimethylammonium cyanoborohydride 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 36.0h， 以9%的产率得到(2S,3R,4R,5S)-1-[(3-cyano-4-(dimethylamino)phenyl)methyl]-2-hydroxymethyl-3,4,5-piperidinetriol
  参考文献：
  名称：

  [EN] PIPERIDINETRIOL DERIVATIVES AS INHIBITORS OF GLYCOSYLCERAMIDE SYNTHASE
  [FR] UTILISATION DE DERIVES DU PIPERIDINETRIOL EN TANT QU'INHIBITEURS DE LA GLYCOSYLCERAMIDE SYNTHASE

  摘要：

  式（I）的化合物：其中R代表各种取代基团，可用作葡萄糖酰胺合成酶的抑制剂。

  公开号：

  WO2004007453A1
• 作为产物：
  描述：

  2-二甲基氨基-苯甲腈 、 alkaline earth salt of/the/ methylsulfuric acid 以35%的产率得到3-Cyano-4-dimethylamino-benzaldehyd
  参考文献：
  名称：

  Walkow, F.; Epperlein, J.; Mustroph, H., Journal fur praktische Chemie (Leipzig 1954), 1985, vol. 327, # 5, p. 799 - 807

  摘要：

  DOI：

文献信息

• [EN] NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER, VIRAL INFECTIONS AND LUNG DISEASES<br/>[FR] NOUVEAUX DÉRIVÉS D'INDOLE UTILES DANS LE TRAITEMENT DU CANCER, DES INFECTIONS VIRALES ET DES MALADIES PULMONAIRES
  申请人：BIOKINESIS

  公开号：WO2014086964A1

  公开（公告）日：2014-06-12

  The present invention relates to a new class of indole derivatives, having a particular MKlp2 inhibition profile and useful as a therapeutic agent, in particular for the treatment of cancer, viral infections and lung diseases.

  本发明涉及一类新的吲哚衍生物，具有特定的MKlp2抑制剂作用，并可用作治疗剂，特别是用于癌症、病毒感染和肺部疾病的治疗。
• NEAR INFRARED FLUOROGEN AND FLUORESCENT ACTIVATING PROTEINS FOR IN VIVO IMAGING AND LIVE-CELL BIOSENSING
  申请人：Carnegie Mellon University

  公开号：US20140243509A1

  公开（公告）日：2014-08-28

  Tissue slices and whole organisms offer substantial challenges to fluorescence imaging. Autofluorescence and absorption via intrinsic chromophores, such as flavins, melanin, and hemoglobins, confound and degrade output from all fluorescent tags. An “optical window,” farther red than most autofluorescence sources and in a region of low hemoglobin and water absorbance, lies between 650 and 900 nm. This valley of relative optical clarity is an attractive target for fluorescence-based studies within tissues, intact organs, and living organisms. Novel fluorescent tags were developed herein, based upon a genetically targeted fluorogen activating protein and cognate fluorogenic dye that yields emission with a peak at 733 nm exclusively when complexed as a “fluoromodule”. This tool improves substantially over previously described far-red/NIR fluorescent proteins in terms of brightness, wavelength, and flexibility by leveraging the flexibility of synthetic chemistry to produce novel chromophores.

  组织切片和整个生物体对荧光成像提出了重大挑战。自发荧光和内在色素（如黄酮，黑色素和血红蛋白）的吸收会干扰和降解所有荧光标记的输出。在650到900纳米之间，比大多数自发荧光源更远的“光学窗口”处于低血红蛋白和水吸收区域内，是组织，完整器官和活体内荧光研究的有吸引力的目标。本文开发了一种新型荧光标记，基于基因定向荧光原活化蛋白和相应的荧光原染料，仅当复合为“荧光模块”时，才产生峰值为733纳米的发射。通过利用合成化学的灵活性来生产新的色素，该工具在亮度，波长和灵活性方面显着优于先前描述的远红外/近红外荧光蛋白。
• NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER, VIRAL INFECTIONS AND LUNG DISEASES
  申请人：BIOKINESIS

  公开号：US20150307450A1

  公开（公告）日：2015-10-29

  The present invention relates to a new class of indole derivatives, having a particular MKlp2 inhibition profile and useful as a therapeutic agent, in particular for the treatment of cancer, viral infections and lung diseases.

  本发明涉及一种新的吲哚衍生物类，具有特定的MKlp2抑制剂作用谱，并且可作为治疗剂使用，特别是用于治疗癌症、病毒感染和肺部疾病。
• Derivatives of indole for the treatment of cancer, viral infections and lung diseases
  申请人：BIOKINESIS

  公开号：US10189782B2

  公开（公告）日：2019-01-29

  The present invention relates to a new class of indole derivatives, having a particular MKlp2 inhibition profile and useful as a therapeutic agent, in particular for the treatment of cancer, viral infections and lung diseases.

  本发明涉及一类新的吲哚衍生物，具有特殊的 MKlp2 抑制特性，可用作治疗剂，特别是用于治疗癌症、病毒感染和肺部疾病。
• PIPERIDINETRIOL DERIVATIVES AS INHIBITORS OF GLYCOSYLCERAMIDE SYNTHASE
  申请人：Oxford GlycoSciences (UK) Limited

  公开号：EP1534676A1

  公开（公告）日：2005-06-01