2-甲氧基二苯并软木酮 | 17910-72-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 二苯并环庚烯
• 中文名称: 2-甲氧基二苯并软木酮
• 英文名称: 2-hydroxydibenzocycloheptadiene-5-one
• 英文别名: 2-methoxy-10,11-dihydro-5H-dibenzocyclohepten-5-one；2-Methoxy-10,11-dihydrodibenzocyclohepten-5-one；2-Methoxy-dibenzo<1,4>cycloheptadien-5-on；2-methoxy-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-one；2-methoxy-10,11-dihydro-5H-dibenzo-[a,d]cycloheptene-5-one；10,11-dihydro-2-methoxy-5H-dibenzo[a,d]cyclohepten-5-one；2-Methoxy-10,11-dihydro-dibenzo[a,d]cyclohepten-5-one；2-Methoxy-dibenzosuberone；6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
• CAS: 17910-72-4
• 化学式: C₁₆H₁₄O₂
• 分子量: 238.286
• InChiKey: BRFQZKLQUBMUAM-UHFFFAOYSA-N

物化性质

• 沸点：
  418.2±45.0 °C(Predicted)
• 密度：
  1.166±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2914509090

反应信息

• 作为反应物：
  描述：

  2-甲氧基二苯并软木酮 在 sodium hydroxide 、 N-溴代丁二酰亚胺(NBS) 、 三氯化铝 、 TEA 、 potassium tert-butylate 作用下， 以 1,4-二氧六环 、 四氯化碳 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 65.08h， 生成 5-<(5-Oxo-dibenzocyclohepten-2-yl)oxy>valeric acid
  参考文献：
  名称：

  Synthesis of 5-(((R,S)-5-((9-Fluorenylmethoxycarbonyl)amino)-10,11-dihydrodibenzo[a,d]cyclohepten-2-yl)oxy)valeric Acid (CHA) and 5-(((R,S)-5-((9-Fluorenylmethoxycarbonyl)amino)dibenzo[a,d]-cyclohepten-2-yl)oxy)valeric Acid (CHE) Handles for the Solid-Phase Synthesis of C-Terminal Peptide Amides under Mild Conditions

  摘要：

  Two novel handles for peptide amide preparation under mild conditions were developed for use in highly efficient solid-phase peptide synthesis. These handles, 5-{[(R,S)-5-[(9-fluorenylmethoxy-carbonyl)amino]-10,11-dihydrodibenzo[a,d]cyclohepten-2-yl]oxy}valeric acid (CHA) and 5-{[(R,S)-5-[(9-fluorenylmethoxycarbonyl)amino]dibenzo[a,d]cyclohepten-2-yl]oxy}valeric acid (CHE), were attached to the solid support and were used for syntheses of peptides having a C-terminal amide by the fluorenylmethoxycarbonyl strategy. The cleavability of CHA and CHE was determined and compared with the that commercially available amide handles. CHA and CHE handles can be rapidly cleaved from the polymer support without significant side reactions using lower acid concentrations than those required for conventional handles. As CHA can be easily synthesized in large amounts, it is suitable for peptide amide preparation for pharmaceuticals. As CHE can be cleaved at very low concentrations of acid, it is especially suitable for preparing side chain-protected peptide amides: Several brain-gut peptides having a C-terminal amide were synthesized in high yield and high purity with these novel handles.

  DOI：

  10.1021/jo00105a010
• 作为产物：
  描述：

  2-溴甲基苯甲酸甲酯 在 palladium on activated charcoal sodium hydroxide 、 三氯化铝 、 草酰氯 、 氢气 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 1,4-二氧六环 、 甲醇 、 苯 为溶剂， 反应 4.75h， 生成 2-甲氧基二苯并软木酮
  参考文献：
  名称：

  用于固相肽合成的通用接头的设计：C末端伯/仲酰胺和酰肼的合成

  摘要：

  已经开发了基于二苯并环庚-1,4-二烯系统的高效，多功能的固相肽合成接头，用于合成C端伯/仲酰胺和酰肼。

  DOI：

  10.1016/0040-4039(93)88115-y

文献信息

• 5-Alkyl or hydroxyalkyl
  申请人：Merck & Co., Inc.

  公开号：US04399141A1

  公开（公告）日：1983-08-16

  5-Substituted-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5,10-imines, derivatives and pharmaceutically acceptable salts thereof are useful as anticonvulsants.

  5-取代-10,11-二氢-5H-二苯并[a,d]环庚烯-5,10-亚胺及其衍生物和药用盐可用作抗癫痫药。
• Tricyclic antidepressant derivatives and immunoassay
  申请人：Roche Diagnostics Corporation

  公开号：US06368814B1

  公开（公告）日：2002-04-09

  The present invention is directed to novel tricyclic antidepressant drug derivatives synthesized for covalent attachment to proteins or polypeptide antigens for use in the preparation of antibodies or receptors to tricyclic antidepressant drugs and tricyclic antidepressant metabolites. The new derivatives are characterized by a saturated double bond on the amitriptyline portion of the molecule and are represented by the structure where R1 is a saturated or unsaturated, substituted or unsubstituted, straight or branched chain of 0-10 carbon or heteroatoms, X is a linker group consisting of 0-2 substituted or unsubstituted aromatic rings, and Y is an activated ester or NH—Z, where Z is a poly(amino acid). The novel tricyclic antidepressant activated hapten derivatives are useful for preparing tracers and conjugates for tricyclic antidepressant immunoassays, including an enzyme immunoassay and a microparticle capture inhibition assay using an antibody produced from the novel immunogen with a conjugate derivatized either at the N-1 position of imipramine or at the C-2 position of dihydroamitriptyline.

  本发明涉及一种新型三环抗抑郁药物衍生物，该衍生物经合成可共价连接到蛋白质或多肽抗原上，用于制备抗体或受体以对抗三环抗抑郁药物和三环抗抑郁药物代谢物。新的衍生物的特点是分子中的阿米替林部分具有饱和双键，其结构表示为R1是0-10碳或杂原子的饱和或不饱和、取代或未取代的直链或支链，X是由0-2个取代或未取代的芳香环组成的连接基团，Y是活性酯或NH-Z，其中Z是多肽（氨基酸）。这种新型三环抗抑郁药物活化半抗原衍生物可用于制备三环抗抑郁药物免疫分析的示踪剂和结合物，包括使用从新型免疫原产生的抗体制备的酶免疫分析和微粒捕获抑制分析，其中结合物在氨替林的N-1位置或二氢阿米替林的C-2位置衍生化。
• Tricyclic steroid hormone nuclear receptor modulators
  申请人：Coghlan Joseph Michael

  公开号：US20060063759A1

  公开（公告）日：2006-03-23

  The present invention relates to methods of treating pathological disorders susceptible to steroid hormone nuclear receptor modulation comprising administering to a patient in need thereof an effective amount of a compound of the formula (I): or a pharmaceutically acceptable salt thereof. In addition, the present invention provides novel pharmaceutical compounds of Formula (I), including the pharmaceutically acceptable salts thereof, as well as pharmaceutical compositions which comprise as an active ingredient a compound of Formula (I).

  本发明涉及治疗对类固醇激素核受体调节敏感的病理性疾病的方法，包括向需要治疗的患者施用化合物（I）的有效量或其药学上可接受的盐。此外，本发明提供了公式（I）的新型药物化合物，包括其药学上可接受的盐，以及含有公式（I）化合物作为活性成分的药物组合物。
• Glycine Transporter-1 Inhibitors
  申请人：Hitchcock Stephen A.

  公开号：US20100298341A1

  公开（公告）日：2010-11-25

  The present invention provides compounds that are glycine transporter 1 (hereinafter referred to as GlyT-1) inhibitors and are therefore useful for the treatment of diseases treatable by inhibition of GlyT1 such as cognitive disorders associated with Schizophrenia, ADHD (attention deficit hyperactivity disorder), MCI (mild cognitive impairment), and the like. Also provided are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  本发明提供了一些甘氨酸转运体1（以下简称GlyT-1）抑制剂化合物，因此可用于治疗可通过抑制GlyT1治疗的疾病，如与精神分裂症、注意力缺陷多动障碍（ADHD）、轻度认知障碍（MCI）等相关的认知障碍。还提供了含有这些化合物的制药组合物和制备这些化合物的方法。
• TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS
  申请人：Coghlan Michael Joseph

  公开号：US20090149445A1

  公开（公告）日：2009-06-11

  The present invention relates to methods of treating pathological disorders susceptible to steroid hormone nuclear receptor modulation comprising administering to a patient in need thereof an effective amount of a compound of the formula: or a pharmaceutically acceptable salt thereof. In addition, the present invention provides novel pharmaceutical compounds of Formula I, including the pharmaceutically acceptable salts thereof, as well as pharmaceutical compositions which comprise as an active ingredient a compound of Formula I.

  本发明涉及治疗容易受到类固醇激素核受体调节的病理性疾病的方法，包括向需要治疗的患者施用化合物的有效量，该化合物的公式为：或其药学上可接受的盐。此外，本发明提供了公式I的新型药物化合物，包括其药学上可接受的盐，以及含有公式I化合物作为活性成分的药物组合物。