卡罗维林 | 23465-76-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 卡罗维林
• 中文别名: 卡罗威宁
• 英文名称: 1-[2-(diethylamino)ethyl]-3-(4-methoxybenzyl)quinoxalin-2(1H)-one
• 英文别名: caroverine；1-(2-diethylamino-ethyl)-3-(4-methoxy-benzyl)-1H-quinoxalin-2-one；1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]-2-(1H)-quinoxalinone；N⁴-<2-Diethylamino-ethyl>-2-<4-methoxy-benzyl>-chinoxalon-(3)；1-<2-Diethylamino-ethyl>-3-<4-methoxy-benzyl>-chinoxalon-(2)；1-(2-Diethylamino-ethyl)-3-(4-methoxy-benzyl)-2-oxo-1.2-dihydro-chinoxalin；1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one
• CAS: 23465-76-1
• 化学式: C₂₂H₂₇N₃O₂
• mdl: MFCD00865257
• 分子量: 365.475
• InChiKey: MSPRUJDUTKRMLM-UHFFFAOYSA-N

物化性质

• 熔点：
  69°
• 沸点：
  bp0.01 202°
• 密度：
  1.11±0.1 g/cm3(Predicted)
• 溶解度：
  DMSO:100.0(最大浓度 mg/mL);248.8(最大浓度 mM)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  45.1
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090
• 储存条件：
  -20°C，避光保存。

制备方法与用途

药理作用：卡罗维林是一种平滑肌松弛剂，同时还具备钙通道阻断和谷氨酸受体拮抗的作用。它主要用于治疗平滑肌痛性痉挛、脑部血液循环障碍以及耳鸣等症状。

反应信息

• 作为产物：
  描述：

  4-(2-chloroethyl)-2-cyano-3-oxo-3,4-dihydroquinoxaline 1-oxide 在 sodium dithionite 、 叔丁基二甲基氯硅烷 、 sodium iodide 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 丙酮 、 乙腈 为溶剂， 反应 51.0h， 生成 卡罗维林
  参考文献：
  名称：

  A diversity-oriented synthesis of caroverine derivatives via TEMPO-promoted aerobic oxidative CN bond formation

  摘要：

  A concise method has been developed for the synthesis of caroverine and its derivatives. The quinoxalinone scaffold of these compounds was constructed via the tandem nitrosation/aerobic oxidative C N bond formation reaction of N-(2-chloroethyl)-2-cyano-N-phenylacetamide, followed by sequential Grignard, Finkelstein and nucleophilic substitutions reactions to give several different derivatives. Herein, we describe the development of this strategy in terms of the optimization of each step as well as the effect of different additives on the individual reactions. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.03.061

文献信息

• MULTIFUNCTIONAL SMALL MOLECULES
  申请人：Baker, JR. James R.

  公开号：US20120259114A1

  公开（公告）日：2012-10-11

  The present invention relates to dendrimer synthesis. Specifically, the present invention relates to triazine scaffolds capable of click chemistry for one-step synthesis of functionalized dendrimers, and methods of making and using the same.

  本发明涉及树枝状大分子的合成。具体而言，本发明涉及能够进行点击化学的 三嗪支架，用于一步法合成功能化树枝状大分子，以及制造和使用该支架的方法。
• Internally Masked Neopentyl Sulfonyl Ester Cyclization Release Prodrugs of Acamprosate, Compositions Thereof, and Methods of Use
  申请人：Li Yunxiao

  公开号：US20090099253A1

  公开（公告）日：2009-04-16

  Internally masked neopentyl sulfonyl ester prodrugs of acamprosate, pharmaceutical compositions comprising such prodrugs, and methods of using such prodrugs and compositions thereof for treating diseases are disclosed. In particular, acamprosate prodrugs exhibiting enhanced oral bioavailability and methods of using acamprosate prodrugs to treat neurodegenerative disorders, psychotic disorders, mood disorders, anxiety disorders, somatoform disorders, movement disorders, substance abuse disorders, binge eating disorder, cortical spreading depression related disorders, tinnitus, sleeping disorders, multiple sclerosis, and pain are disclosed.

  内部掩盖的新戊基磺酰酯前药，包含这种前药的药物组合物，以及使用这种前药和组合物治疗疾病的方法被披露。具体来说，披露了展现增强口服生物利用度的阿卡姆普罗酸前药以及使用阿卡姆普罗酸前药治疗神经退行性疾病、精神障碍、情绪障碍、焦虑障碍、躯体形式障碍、运动障碍、物质滥用障碍、暴饮暴食障碍、皮层扩散性抑郁相关障碍、耳鸣、睡眠障碍、多发性硬化症和疼痛的方法。
• [EN] PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS<br/>[FR] PYRAZOLO[4,3-D]PYRIMIDINES UTILES EN TANT QU'INHIBITEURS DE KINASES
  申请人：ORIGENIS GMBH

  公开号：WO2012143144A1

  公开（公告）日：2012-10-26

  The present invention relates to novel compounds of formula (I) that are capable of inhibiting one or more kinases, especially SYK (Spleen Tyrosine Kinase), LRRK2 (Leucine-rich repeat kinase 2) and/or MYLK (Myosin light chain kinase) or mutants thereof. The compounds find applications in the treatment of a variety of diseases. These diseases include autoimmune diseases, inflammatory diseases, bone diseases, metabolic diseases, neurological and neurodegenerative diseases, cancer, cardiovascular diseases, allergies, asthma, alzheimer's disease, parkinson's disease, skin disorders, eye diseases, infectious diseases and hormone-related diseases.

  本发明涉及一种能够抑制一个或多个激酶，特别是SYK（脾酪氨酸激酶）、LRRK2（富含亮氨酸重复的激酶2）和/或MYLK（肌球蛋白轻链激酶）或其突变体的化合物的新颖化合物（I）的公式。这些化合物在治疗各种疾病中发挥作用。这些疾病包括自身免疫疾病、炎症性疾病、骨疾病、代谢性疾病、神经和神经退行性疾病、癌症、心血管疾病、过敏、哮喘、阿尔茨海默病、帕金森病、皮肤疾病、眼部疾病、传染病和与激素相关的疾病。
• [EN] HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES EN TANT QU'INHIBITEURS DE KINASES
  申请人：ORIGENIS GMBH

  公开号：WO2012143143A1

  公开（公告）日：2012-10-26

  The present invention relates to novel compounds of formula (I) that are capable of inhibiting one or more kinases, especially SYK (Spleen Tyrosine Kinase), LRRK2 (Leucine-rich repeat kinase 2) and/or MYLK (Myosin light chain kinase) or mutants thereof. The compounds find applications in the treatment of a variety of diseases. These diseases include autoimmune diseases, inflammatory diseases, bone diseases, metabolic diseases, neurological and neurodegenerative diseases, cancer, cardiovascular diseases, allergies, asthma, alzheimer's disease, parkinson's disease, skin disorders, eye diseases, infectious diseases and hormone-related diseases.

  本发明涉及一种能够抑制一个或多个激酶，特别是SYK（脾酪氨酸激酶）、LRRK2（富含亮氨酸重复激酶2）和/或MYLK（肌球蛋白轻链激酶）或其突变体的化合物的新颖化合物（I）的公式。这些化合物在治疗各种疾病中发挥作用。这些疾病包括自身免疫疾病、炎症性疾病、骨疾病、代谢性疾病、神经和神经退行性疾病、癌症、心血管疾病、过敏、哮喘、阿尔茨海默病、帕金森病、皮肤疾病、眼部疾病、传染病和与激素相关的疾病。
• Diagnostic or therapeutic somatostatin or bombesin analog conjugates and uses thereof
  申请人：Coy H. David

  公开号：US20050070470A1

  公开（公告）日：2005-03-31

  Disclosed are peptide agents and uses thereof that are analogs of biologically active peptides such as somatostatin and bombesin. The compounds of the invention have the general formula X-Y-Z-Q, where X is a cytotoxic agent, therapeutic agent, detectable label or chelating group, and Q is a biologically active peptide. In peptide agents of the invention Y is optionally a hydrophilic polymer or peptide, and Z is a linking peptide bonded to Q at the amino terminus of Q, having two, three, four, or five, amino acid residues selected to link X to Q, while retaining the biological activity of Q. Methods of using these peptide agents in the diagnosis and treatment of diseases are also disclosed.

  披露了肽剂及其用途，它们是生物活性肽的类似物，例如生长抑素和蛙皮素。发明的化合物具有通式X-Y-Z-Q，其中X是细胞毒素、治疗剂、可检测的标签或螯合基团，Q是生物活性肽。在发明的肽剂中，Y是可选的水溶性聚合物或肽，Z是与Q的氨基端连接的连接肽，具有两个、三个、四个或五个氨基酸残基，选择将X连接到Q，同时保留Q的生物活性。还披露了使用这些肽剂在疾病的诊断和治疗中的方法。