indomethacin farnesil | 85801-02-1

• 物质功能分类: 原料药 - 消化系统用药
• 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: indomethacin farnesil
• 英文别名: 1-(p-chlorobenzoyl)-2-methyl-5-methoxy-3-indolylacetic acid 3,7,11-trimethyl-2,6,10-dodecatrienyl ester；Indometacin farnesil；[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
• CAS: 85801-02-1
• 化学式: C₃₄H₄₀ClNO₄
• 分子量: 562.149
• InChiKey: CFIGYZZVJNJVDQ-LMJOQDENSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  40
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  57.5
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  室温且干燥环境下使用。

制备方法与用途

适应症 吲哚美辛法呢酯主要用于治疗类风湿关节炎、骨关节炎、腰痛、肩周炎及颈臂综合症。

化学性质 急性毒性实验显示，吲哚美辛法呢酯的小鼠、大鼠和狗的LD₅₀分别为6800～7800 mg/kg、1680～2000 mg/kg 和大于3000 mg/kg（口服）。

用途 吲哚美辛法呢酯是一种新型非甾体抗炎止痛药，能良好地分布于炎性组织。适用于类风湿性关节炎、骨关节炎、腰痛、肱肩胛关节周围炎及颈肩臂综合征的治疗。

生产方法 将12克吲哚美辛用二氯亚砜进行氯化后，得到酰氯化合物。在三乙胺的存在下，该酰氯化合物与7.6克3,7,11-三甲基-2,6,10-十二碳三烯醇混合，在四氢呋喃溶液中于室温反应1小时后，可获得14克吲哚美辛法呢酯。

反应信息

• 作为产物：
  描述：

  吲哚美辛 、 反式,反式-金合欢醇 生成 indomethacin farnesil
  参考文献：
  名称：

  YAMADZU, KO;ABEH, SINYA;INEHI, YUITI;SUDZUKI, KI

  摘要：

  DOI：

文献信息

• Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient
  申请人：Ohhata Akira

  公开号：US20050222138A1

  公开（公告）日：2005-10-06

  A nitrogen-containing bicyclic compound of formula (I) or a pharmaceutically acceptable salt thereof (wherein the symbols have the same meanings as described in the specification). The compound of formula (I) has an inhibitory activity against PDE7 and it is useful for the prevention and/or treatment of various diseases, i.e. autoimmune diseases (ulcerative colitis, Crohn's disease, rheumatism, psoriasis, multiple sclerosis, collagenosis, etc.), inflammatory diseases (obstructive pulmonary disease, sepsis, pancreatitis, sarcoidosis, nephritis, hepatitis, enteritis, etc.), allergic diseases (asthma, allergic rhinitis, allergic conjunctivitis, seasonal conjunctivitis, atopic dermatitis, etc.), rejection of organ transplants, serious graft versus host disease (GVHD), diabetic disease, osteoporosis, bone fracture, restenosis, atherosclerosis, obesity, ischemic reperfusion injury, depression, Parkinson's disease, dementia, leukemia, etc.

  化学式（I）的含氮双环化合物或其药用盐（其中符号的含义与说明书中描述的相同）。 化合物的化学式（I）具有对PDE7的抑制活性，对于预防和/或治疗各种疾病非常有用，即自身免疫性疾病（溃疡性结肠炎、克罗恩病、风湿病、牛皮癣、多发性硬化症、结缔组织病等）、炎症性疾病（慢性阻塞性肺病、败血症、胰腺炎、结节病、肾炎、肝炎、肠炎等）、过敏性疾病（哮喘、过敏性鼻炎、过敏性结膜炎、季节性结膜炎、特应性皮炎等）、器官移植排斥、严重移植物抗宿主病（GVHD）、糖尿病、骨质疏松症、骨折、再狭窄、动脉粥样硬化、肥胖症、缺血再灌注损伤、抑郁症、帕金森病、痴呆症、白血病等。
• Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients
  申请人：Rogers D. Robin

  公开号：US20070093462A1

  公开（公告）日：2007-04-26

  Disclosed are ionic liquids and methods of preparing ionic liquid compositions of active pharmaceutical, biological, nutritional, and energetic ingredients. Also disclosed are methods of using the compositions described herein to overcome polymorphism, overcome solubility and delivery problems, to control release rates, add functionality, enhance efficacy (synergy), and improve ease of use and manufacture.

  揭示了离子液体及制备活性药物、生物、营养和能量成分的离子液体组合物的方法。还揭示了利用本文描述的组合物的方法，以克服多型性、克服溶解度和输送问题、控制释放速率、增加功能性、增强功效（协同作用）以及改善易用性和制造工艺。
• NOVEL IMIDAZOPYRIDINE COMPOUND
  申请人：Takeuchi Jun

  公开号：US20120094944A1

  公开（公告）日：2012-04-19

  For the prevention and/or treatment of chymase-mediated diseases such as skin diseases, circulatory diseases, digestive system diseases, respiratory diseases, liver diseases, ocular diseases or the like, a drug is provided having as an active ingredient a compound having extremely strong chymase inhibitory activity, high safety, and high metabolic stability. The compound represented by the formula (I): wherein all symbols have the same meanings as in the description, a salt thereof, an N-oxide thereof or a solvate thereof, or a prodrug thereof, is useful as a pharmaceutical ingredient having chymase inhibitory activity for preventing and/or treating of chymase-mediated disease, such as skin diseases, circulatory diseases, digestive system diseases, respiratory diseases, liver diseases, ocular diseases or the like.

  为了预防和/或治疗由钳切酶介导的疾病，如皮肤疾病、循环系统疾病、消化系统疾病、呼吸系统疾病、肝脏疾病、眼部疾病等，提供了一种药物，其活性成分是具有极强的钳切酶抑制活性、高安全性和高代谢稳定性的化合物。该化合物由以下式子表示：其中所有符号的含义与描述中相同，其盐、N-氧化物或溶剂化物，或其前药形式，可用作具有钳切酶抑制活性的药用成分，用于预防和/或治疗由钳切酶介导的疾病，如皮肤疾病、循环系统疾病、消化系统疾病、呼吸系统疾病、肝脏疾病、眼部疾病等。
• [EN] ANTIBIOFILM FORMULATIONS<br/>[FR] FORMULATIONS D'ANTIBIOFILM
  申请人：UNIV NORTHERN ARIZONA

  公开号：WO2018222924A1

  公开（公告）日：2018-12-06

  Methods and compositions related to molecules and formulations comprising antibiofilm materials are provide, including new formulations of Deep Eutectic Solvents (DES) that are chemically related to choline geranate. Specifically, geranic acid (a component of choline geranate DES) is a molecule from the isoprenoid/terpene family of compounds. Other members of this family as DES components include isoprenoid acids and chemical derivatives thereof.

  提供与分子和配方相关的方法和组合物，其中包括含有抗生物膜材料的新配方，其中这些配方包括与胆碱油酸盐化物相关的新型深共熔溶剂（DES）。具体来说，油酸（胆碱油酸盐化物DES的一种成分）是异戊二烯/萜类化合物家族中的一种分子。该家族的其他成员作为DES组分包括异戊二烯酸及其化学衍生物。
• Nitrogenous heterocyclic compounds and medical use thereof
  申请人：Takahashi Kanji

  公开号：US20070010529A1

  公开（公告）日：2007-01-11

  The present invention relates to a compound represented by formula (I): (wherein all the symbols have the same meanings as defined in the above description) and a production method and use thereof. The compounds represented by formula (I), or its salt, N-oxide or solvate, or a prodrug thereof have p38 MAP kinase inhibitory activity, and are useful in the prevention and/or treatment of those diseases that are supposedly caused or deteriorated by abnormal production of cytokines including inflammatory cytokine or chemokine, or by over response thereto, namely cytokine-mediated diseases such as inflammatory diseases, respiratory diseases, cardiovascular disease, central nervous system diseases, and the like.

  本发明涉及一种由以下式表示的化合物：(其中所有符号的含义与上述描述中定义的相同)，以及其生产方法和用途。由式(I)表示的化合物，或其盐、N-氧化物或溶剂合物，或其前药，在p38 MAP激酶抑制活性方面具有作用，并且在预防和/或治疗那些据称由细胞因子异常产生或恶化引起，或由过度反应引起的疾病方面有用，即细胞因子介导的疾病，如炎症性疾病、呼吸系统疾病、心血管疾病、中枢神经系统疾病等。