Stilben-4-carbonsaeure-chlorid | 42944-21-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: Stilben-4-carbonsaeure-chlorid
• 英文别名: 4-styrylbenzoyl chloride；Stilbene-4-carboxylic acid chloride；4-(2-phenylethenyl)benzoyl chloride
• CAS: 42944-21-8
• 化学式: C₁₅H₁₁ClO
• 分子量: 242.705
• InChiKey: FTGYTJSRQLHCTD-UHFFFAOYSA-N

物化性质

• 沸点：
  372.1±22.0 °C(Predicted)
• 密度：
  1.219±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  Stilben-4-carbonsaeure-chlorid 在 Pd-BaSO₄ 、 quinoline S 氢氧化钾 、 氢气 作用下， 以 N,N-二甲基甲酰胺 、 xylene 为溶剂， 反应 0.5h， 生成 1,4-distyrylbenzene
  参考文献：
  名称：

  Erckel, R.; Fruehbeis, H., Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1982, vol. 37, # 11, p. 1472 - 1480

  摘要：

  DOI：
• 作为产物：
  描述：

  stilbene-4-carboxylic acid 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以100%的产率得到Stilben-4-carbonsaeure-chlorid
  参考文献：
  名称：

  Patel, Chirag Bhupendra; Dhaduk, Bhavin Babu; Parsania, Parsotam Hari, Letters in drug design and discovery, 2015, vol. 12, # 6, p. 505 - 511

  摘要：

  DOI：

文献信息

• Benzoheterocyclic derivatives
  申请人：Otsuka Pharmaceuticals Co., Ltd.

  公开号：US06335327B1

  公开（公告）日：2002-01-01

  A benzoheterocyclic derivative of the following formula [1]: and pharmaceutically acceptable salts thereof, which show excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as a vasopressin antagonist, vasopressin agonist or oxytocin antagonist.

  以下是该句子的中文翻译： 一种苯并杂环衍生物，其化学式如下： 及其药用盐，表现出优异的抗加压素活性、加压素激动活性和催产素拮抗活性，可用作加压素拮抗剂、加压素激动剂或催产素拮抗剂。
• Synthesis of 2-substituted 4-quinazolone-5-carboxylic acids as inhibitors of DNA-gyrase
  作者：Zhihua Sui、Van N. Nguyen、Jeff Fernandez、John F. Barrett、Kwasi A. Ohemeng

  DOI：10.1002/jhet.5570340124

  日期：1997.1

  A series of 4-quinazolone-5-carboxylic acids were designed as bacterial DNA gyrase inhibitors. The syntheses of the target compounds were accomplished by reacting 3-aminophthalimide with aroyl chlorides followed by rearrangement of the resulting 3-acylaminophthalimides under basic conditions. The designed compounds showed moderate DNA gyrase inhibitory activity.

  设计了一系列4-喹唑酮-5-羧酸作为细菌DNA促旋酶抑制剂。通过使3-氨基邻苯二甲酰亚胺与芳酰氯反应，然后在碱性条件下重排所得的3-酰基氨基邻苯二甲酰亚胺来完成目标化合物的合成。设计的化合物显示出中等的DNA旋转酶抑制活性。
• Novel Compounds Modulating The Hedgehog Protein Signaling Pathway, Marked Forms Thereof, And Applications
  申请人：Centre National De La Recherche Scientifique

  公开号：US20140228441A1

  公开（公告）日：2014-08-14

  The invention relates to compounds of formula (I), and the use thereof as a drug, particularly for the treatment of tumors associated with hyperactivation of the hedgehog protein signaling pathway, treatment of neurodegenerative diseases, treatment of diseases related to cerebral development (holoprosencephaly), for stem cell monitoring treatment of cerebrovascular accidents and cardiovascular accidents, treatment of diseases involving oligodendrocytes and diseases involving neurolemmocytes, for application thereof in vitro for modulating human or animal stem cell renewal, and for the treatment of diabetes. The invention also relates to pharmaceutical compositions having a compound of formula (I). The invention also relates to a method for radio-marking compounds having formula (I), the marked compounds, and the use of the compounds as research tools, and method for screening and/or identifying ligands in the Smoothened receptor (Smo) binding sites, methods for identifying agonists and antagonists of the Smoothened receptor, and a method for identifying cells.

  该发明涉及式(I)的化合物，以及其作为药物的用途，特别是用于治疗与刺刺蛋白信号通路的高活化相关的肿瘤，治疗神经退行性疾病，治疗与脑发育相关的疾病（全脑前脑发育不全），用于干细胞监测治疗脑血管事故和心血管事故，治疗涉及寡脂髓细胞和涉及神经鞘细胞的疾病，用于体外应用以调节人类或动物干细胞更新，并用于治疗糖尿病。该发明还涉及具有式(I)化合物的药物组合物。该发明还涉及一种标记具有式(I)的化合物的方法，标记的化合物，以及将化合物用作研究工具的用途，以及筛选和/或识别Smoothened受体（Smo）结合位点中配体的方法，识别Smoothened受体的激动剂和拮抗剂的方法，以及识别细胞的方法。
• 4-halogenostilbene derivatives and processes for their preparation
  申请人：Ciba-Geigy Corporation

  公开号：US04918215A1

  公开（公告）日：1990-04-17

  Novel compounds of the formula ##STR1## and processes for their preparation are described. X represents bromine or iodine and R.sub.1, R.sub.2 and R.sub.3 have the meaning indicated in the patent claim. The compounds (I) are valuable intermediates for the preparation of fluorescent brighteners of the divinylstilbene type.

  本发明描述了公式##STR1##的新型化合物及其制备方法。 X代表溴或碘，R.sub.1，R.sub.2和R.sub.3具有专利要求中所示的含义。化合物（I）是制备二乙烯基stilbene类荧光增白剂的有价值的中间体。
• Antibiofilm Activity of a Diverse Oroidin Library Generated through Reductive Acylation
  作者：T. Eric Ballard、Justin J. Richards、Arianexys Aquino、Catherine S. Reed、Christian Melander

  DOI：10.1021/jo802260t

  日期：2009.2.20

  A diverse 20-compound library of analogues based on the marine alkaloid oroidin were synthesized via a reductive acylation strategy. The final target was then assayed for inhibition and dispersion activity against common proteo-bacteria known to form biofilms. This methodology represents a significant improvement over the generality of known methods to acylate substrates containing 2-aminoimidazoles and has the potential to have broad application to the synthesis of more advanced oroidin family members and their corresponding analogues.