9,10-dihydro-9,10-ethano-anthracene-11-methyl-11-carboxylic acid | 13294-87-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 9,10-dihydro-9,10-ethano-anthracene-11-methyl-11-carboxylic acid
• 英文别名: 11-methyl-9,10-dihydro-9,10-ethano-anthracene-11-carboxylic acid；11-Methyl-9,10-dihydro-9,10-aethano-anthracen-11-carbonsaeure；15-Methyltetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid；15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
• CAS: 13294-87-6
• 化学式: C₁₈H₁₆O₂
• 分子量: 264.324
• InChiKey: NRUFZVGNVQBKSX-UHFFFAOYSA-N

物化性质

• 熔点：
  213-215 °C(Solv: hexane (110-54-3); benzene (71-43-2))
• 沸点：
  438.8±45.0 °C(Predicted)
• 密度：
  1.239±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-氨基-1,3,4-噻二唑 、 9,10-dihydro-9,10-ethano-anthracene-11-methyl-11-carboxylic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 生成 15-methyl-N-(1,3,4-thiadiazol-2-yl)tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2,4,6,9(14),10,12-hexaene-15-carboxamide
  参考文献：
  名称：

  Discovery of novel dihydro-9,10-ethano-anthracene carboxamides as glucocorticoid receptor modulators

  摘要：

  A series of dihydro-9,10-ethano-anthracene-11-carboxamides as novel glucocorticoid receptor modulators is reported. SAR exploration identified compounds from this series displaying a promising dissociation pro. le in discriminating between transrepression and transactivation activities. 17a is a partial agonist of GR-mediated transactivation which elicits potent and efficacious transrepression in reporter gene assays. A hypothetical binding mode is provided which accounts for the induction of functional activity by a bridgehead methyl group. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.006
• 作为产物：
  描述：

  蒽 、 甲基丙烯酸甲酯 生成 9,10-dihydro-9,10-ethano-anthracene-11-methyl-11-carboxylic acid
  参考文献：
  名称：

  US2673874

  摘要：

  公开号：

文献信息

• Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof
  申请人：Sheppeck James

  公开号：US20060154973A1

  公开（公告）日：2006-07-13

  The present invention relates to new class of non-steroidal compounds which are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity including obesity, diabetes, inflammatory- and immune-associated diseases, and have the structure including all stereoisomers thereof, tautomers thereof, or a prodrug thereof, or a pharmaceutically acceptable salt thereof, wherein X is selected from N, O, and S; Y is N or CR 6 ; Z is a ring; and where R, R a , R b , R c , R d , R 1 , R 2 , R 3 , R 4 , and R 5 are as defined herein. Also provided are pharmaceutical compositions and methods of treating obesity, diabetes and inflammatory or immune associated diseases comprising said compounds.

  本发明涉及一类新的非甾体化合物，用于治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病，包括肥胖、糖尿病、炎症和免疫相关疾病，并具有结构，包括其所有立体异构体、互变异构体或前药，或其药用可接受盐，其中X选自N、O和S；Y为N或CR6；Z为一个环；R、Ra、Rb、Rc、Rd、R1、R2、R3、R4和R5如本文所定义。还提供了包含所述化合物的药物组合物和治疗肥胖、糖尿病以及炎症或免疫相关疾病的方法。
• RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, COMPOUND, AND ACID GENERATOR
  申请人：TOKYO OHKA KOGYO CO., LTD.

  公开号：US20180149973A1

  公开（公告）日：2018-05-31

  A resist composition including a base component which exhibits changed solubility in a developing solution under action of acid, and a compound (B1) having an anion moiety and a cation moiety and being represented by general formula (b1) (wherein R 01 to R 014 each independently represents a hydrogen atom or a hydrocarbon group which may have a substituent, or two or more of R 01 to R 014 may be mutually bonded to form a ring structure, provided that at least two of R 01 to R 014 are mutually bonded to form a ring structure, and at least one of R 01 to R 014 has an anion group, and the anion moiety as a whole forms an anion having a valency of n; n represents an integer of 1 or more; represents an integer of 1 or more; and M m+ represents an organic cation having a valency of m).

  一种抗蚀组合物，包括在酸的作用下在显影溶液中表现出改变溶解度的基础组分，以及一种具有阴离子基团和阳离子基团的化合物（B1），其由一般式（b1）表示（其中R01至R014分别独立地表示氢原子或可能具有取代基的碳氢基团，或者R01至R014中的两个或两个以上可能相互键合形成环结构，前提是至少两个R01至R014相互键合形成环结构，至少一个R01至R014具有阴离子基团，整体上阴离子基团形成带有价数n的阴离子；n表示1或更多的整数；表示1或更多的整数；Mm+表示具有价数m的有机阳离子）。
• BACLE B.; LEVESQUE G., POLYM. COMMUN., 28,(1987) N 2, 36-37
  作者：BACLE B.、 LEVESQUE G.

  DOI：——

  日期：——
• COMPOSITIONS AND METHODS INVOLVING NUCLEAR HORMONE RECEPTOR SITE II
  申请人：Bristol-Myers Squibb Company

  公开号：EP1575502B1

  公开（公告）日：2010-01-20
• SUBSTITUTED HETEROARYL AMIDE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NFkB ACTIVITY AND USE THEREOF
  申请人：Bristol-Myers Squibb Pharma Company

  公开号：EP1896434A1

  公开（公告）日：2008-03-12