7-oxabicyclo[4.2.0]octane-1,3,5-triene

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7-oxabicyclo[4.2.0]octane-1,3,5-triene
• 英文别名: 7-oxa-bicyclo[4.2.0]octa-1,3,5-triene；7-Oxa-bicyclo[4.2.0]octa-1,3,5-trien；3,4-methyleneoxybenzene；methyleneoxylbenzene；methyleneoxybenzene；methylenoxybenzene；benzo[b]oxetane；benzooxetane；benzoxetane；benzoxetene；benzoxete；7-oxabicyclo[4.2.0]octa-1,3,5-triene
• 化学式: C₇H₆O
• 分子量: 106.124
• InChiKey: MUOUEXCMSFEALV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-{[(E)-2-Phenyl-aziridin-1-ylimino]-methyl}-phenol 以 solid matrix 为溶剂， 生成 7-oxabicyclo[4.2.0]octane-1,3,5-triene
  参考文献：
  名称：

  Benzoxetene. Direct Observation and Theoretical Studies

  摘要：

  在 10 K 的氩气基质中辐照邻羟基苯二氮甲烷或苯并呋喃酮会产生苯并氧杂环丁烯，苯并氧杂环丁烯会与邻醌甲醚发生光平衡。

  DOI：

  10.1246/cl.1997.399

文献信息

• Spirocyclic nitriles as protease inhibitors
  申请人：Schudok Manfred

  公开号：US20090275523A1

  公开（公告）日：2009-11-05

  The invention relates to substituted carbo- and heterocyclic spiro compounds of the formula Ia which inhibit thiol proteases, to processes for their preparation and to the use thereof as medicaments.

  这项发明涉及公式Ia的取代碳氢和杂环螺环化合物，其抑制硫醇蛋白酶，以及它们的制备方法和用作药物的用途。
• Drug conjugates
  申请人：Ojima Iwao

  公开号：US20050232928A1

  公开（公告）日：2005-10-20

  A compound having the formula Y-A-Z, wherein: A is a 5, 6, or 7 member ring that is monocyclic or is fused to 1 to 3 additional 4 to 8 member rings; wherein ring A and, independently, the fused additional rings are carbocyclic or heterocyclic, and saturated or unsaturated, wherein unsaturated rings are aromatic or non-aromatic; wherein Y and Z are substituents at adjacent positions on ring A; Y represents: Z represents: X and E represent O, S, or NR a or NR b ; each of a, b, c, d, e and f independently represents 0 or 1; a+c equals 0, 1, or 2; b+d equals 0, 1, or 2; a+b+c+d+e+f equals 1, 2, or 3; provided that when f is 1, then d is 1, and when d is 0, then f is 0; and when both e and b are 0, then neither R 1 nor R 1 is chloro or bromo; v represents 0 or 1, provided that when v is 0, then J is hydrogen, a metal ion, or a quaternary ammonium ion; and X is O and G is H; either G is hydrogen, a metal ion, a quaternary ammonium ion, lower alkyl, or comprised of a pharmaceutically active chemical compound or the precursor thereof; or X-G represents a carbonyl-activating group; J is lower alkyl, aryl, heteroaryl, omega-hydroxycarbonyl-(lower alkyl), omega-(lower alkoxy)carbonyl-(lower alkyl), omega-(X-G)-carbonyl-(lower alkyl) group, or comprised of a specific binding agent; and R a , R b , R 1 , R 2 , R 3 , R 4 are as defined in the specification.

  具有Y-A-Z分子式的化合物，其中：A是一个5、6或7成员环，可以是单环的，也可以与1至3个额外的4至8成员环融合；其中环A和额外融合的环独立地可以是碳环或杂环，饱和或不饱和，不饱和环可以是芳香的或非芳香的；其中Y和Z是环A上相邻位置的取代基；Y代表：Z代表：X和E代表O、S或NRa或NRb；a、b、c、d、e和f中的每一个独立地代表0或1；a+c等于0、1或2；b+d等于0、1或2；a+b+c+d+e+f等于1、2或3；条件是当f为1时，d为1，当d为0时，f为0；当e和b都为0时，R1和R1都不是氯或溴；v代表0或1，条件是当v为0时，J为氢、金属离子或季铵离子；X为O且G为H；G为氢、金属离子、季铵离子、低碳基，或由药用活性化学化合物或其前体组成；或者X-G代表一个羰基活化基团；J为低碳基、芳基、杂环基、ω-羟基羰基-(低碳基)、ω-(低烷氧基)羰基-(低碳基)、ω-(X-G)-羰基-(低碳基)基团，或由特异结合剂组成；而Ra、Rb、R1、R2、R3、R4如规范中所定义。
• IMINO-IMIDAZO-PYRIDINE DERIVATIVES HAVING ANTITHROMBOTIC ACTIVITY
  申请人：HEINELT Uwe

  公开号：US20090192150A1

  公开（公告）日：2009-07-30

  The invention relates to compounds of the formula I having antithrombotic activity, which in particular inhibit the protease-activated receptor 1 (PAR1), processes for their preparation and use thereof as medicaments.

  本发明涉及一种具有抗血栓作用的化合物，其特别是抑制了蛋白酶活化受体1（PAR1），其化学式为I，其制备方法及其作为药物的用途。
• DRUG CONJUGATES
  申请人：Ojima Iwao

  公开号：US20080139815A1

  公开（公告）日：2008-06-12

  A compound having the formula Y-A-Z, wherein: A is a 5, 6, or 7 member ring that is monocyclic or is fused to 1 to 3 additional 4 to 8 member rings; wherein ring A and, independently, the fused additional rings are carbocyclic or heterocyclic, and saturated or unsaturated, wherein unsaturated rings are aromatic or non-aromatic; wherein Y and Z are substituents at adjacent positions on ring A; Y represents: Z represents: X and E represent O, S, or NR a or NR b ; each of a, b, c, d, e and f independently represents 0 or 1; a+c equals 0, 1, or 2; b+d equals 0, 1, or 2; a+b+c+d+e+f equals 1, 2, or 3; provided that when f is 1, then d is 1, and when d is 0, then f is 0; and when both e and b are 0, then neither R 1 nor R 2 is chloro or bromo; v represents 0 or 1, provided that when v is 0, then J is hydrogen, a metal ion, or a quaternary ammonium ion, and X is O and G is H; either G is hydrogen, a metal ion, a quaternary ammonium ion, lower alkyl, or comprised of a pharmaceutically active chemical compound or the precursor thereof; or X-G represents a carbonyl-activating group; J is lower alkyl, aryl, heteroaryl, omega-hydroxycarbonyl-(lower alkyl), omega-(lower alkoxy)carbonyl-(lower alkyl), omega-(X-G)-carbonyl-(lower alkyl) group, or comprised of a specific binding agent; and R a , R b , R 1 , R 2 , R 3 , R 4 are as defined in the specification.

  化合物的化学式为Y-A-Z，其中：A是一个5、6或7个成员环，可以是单环或与1到3个其他4到8个成员环融合；其中，环A和独立的融合环均为碳环或杂环，饱和或不饱和，不饱和环为芳香或非芳香；Y和Z是环A上相邻位置的取代基；Y代表：Z代表：X和E代表O、S或NRa或NRb；a、b、c、d、e和f中的每一个都独立地表示0或1；a+c等于0、1或2；b+d等于0、1或2；a+b+c+d+e+f等于1、2或3；但当f为1时，则d为1，当d为0时，则f为0；当e和b都为0时，则R1和R2均不是氯或溴；v表示0或1，但当v为0时，则J为氢、金属离子或季铵离子，而X为O且G为H；G可以是氢、金属离子、季铵离子、低碳基或由药物活性化合物或其前体组成；或者X-G表示一个羰基活化基团；J是低碳基、芳基、杂环基、ω-羟基羧酸-(低碳基)、ω-(低烷氧基)羧酸-(低碳基)、ω-(X-G)-羧酸-(低碳基)基团，或由特定结合剂组成；Ra、Rb、R1、R2、R3、R4如说明书所定义。
• Spiro-cyclische Nitrile als Protease-Inhibitoren
  申请人：SANOFI

  公开号：EP2520568A1

  公开（公告）日：2012-11-07

  Die Erfindung betrifft substituierte heterocyclische Spiro-Verbindungen der Formel I, die Cathepsine inhibieren, Verfahren zu ihrer Herstellung und Verwendung derselben als Arzneimittel.

  本发明涉及式 I 的取代杂环螺化合物、 的取代杂环螺化合物、其制备工艺及其作为药物的用途。