(9H-氧杂蒽-9-基)-乙酸 | 1217-58-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: (9H-氧杂蒽-9-基)-乙酸
• 英文名称: 2-(9H-xanthen-9-yl)acetic acid
• 英文别名: 9H-Xanthene-9-acetic acid；9-xanthenylacetic acid；XAA；xanthen-9-yl-acetic acid；Xanthen-9-yl-essigsaeure；2-(9H-xanthen-9yl)acetic acid；9H-xanthen-9-ylacetic acid
• CAS: 1217-58-9
• 化学式: C₁₅H₁₂O₃
• mdl: MFCD00197336
• 分子量: 240.258
• InChiKey: WBWAHPQXFIMEOA-UHFFFAOYSA-N

物化性质

• 熔点：
  150 - 154°C
• 沸点：
  408.4±24.0 °C(Predicted)
• 密度：
  1.269±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.133
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  (9H-氧杂蒽-9-基)-乙酸 在 氯化亚砜 、 苯 作用下， 生成 N-phenyl-2-(9H-xanthen-9-yl)acetamide
  参考文献：
  名称：

  972.源自黄原胶的解痉药

  摘要：

  DOI：

  10.1039/jr9570004823
• 作为产物：
  描述：

  9-dicarboxymethylxanthene 以 N-甲基吡咯烷酮 为溶剂， 反应 1.0h， 以88%的产率得到(9H-氧杂蒽-9-基)-乙酸
  参考文献：
  名称：

  Discovery of novel non-peptidic β-alanine piperazine amide derivatives and their optimization to achiral, easily accessible, potent and selective somatostatin sst1 receptor antagonists

  摘要：

  Structural simplification of the core moieties of obeline and ergoline somatostatin sst(1) receptor antagonists, followed by systematic optimization, led to the identification of novel, highly potent and selective sst(1) receptor antagonists. These achiral, non-peptidic compounds are easily prepared and show promising PK properties in rodents. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.072

文献信息

• MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF
  申请人：Weinstein David S.

  公开号：US20090075995A1

  公开（公告）日：2009-03-19

  Novel non-steroidal compounds are provided which are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity, including inflammatory and immune diseases, having the structure of formula (I): an enantiomer, diastereomer, or tautomer thereof, or a prodrug ester thereof, or a pharmaceutically-acceptable salt thereof, in which: Z is heterocyclo or heteroaryl; A is a 5- to 8-membered carbocyclic ring or a 5- to 8-membered heterocyclic ring; B is a cycloalkyl, cycloalkenyl, aryl, heterocyclo, or heteroaryl ring, wherein each ring is fused to the A ring on adjacent atoms and optionally substituted by one to four groups which are the same or different and are independently selected from R 5 , R 6 , R 7 , and R 8 ; J 1 , J 2 , and J 3 are at each occurrence the same or different and are independently -A 1 QA 2 -; Q is a bond, O, S, S(O), or S(O) 2 ; A 1 and A 2 are the same or different and are at each occurrence independently selected from a bond, C 1-3 alkylene, substituted C 1-3 alkylene, C 2-4 alkenylene, and substituted C 2-4 alkenylene, provided that A 1 and A 2 are chosen so that ring A is a 5- to 8-membered carbocyclic or heterocyclic ring; R 1 to R 11 are as defined herein. Also provided are pharmaceutical compositions and methods of treating inflammatory- or immune-associated diseases and obesity and diabetes employing said compounds.

  提供了一系列新颖的非甾体化合物，这些化合物在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中很有用，包括炎性和免疫疾病，具有以下结构式（I）： 其对应的光学异构体、对映异构体或互变异构体，或其前药酯，或其药用可接受盐，其中： Z是杂环或杂芳基； A是一个5至8成员的碳环或一个5至8成员的杂环； B是一个环烷基、环烯基、芳基、杂环或杂芳基环，其中每个环都与A环上的相邻原子融合，并且可以选择性地被一个到四个独立选自R5、R6、R7和R8的相同或不同的组取代； J1、J2和J3每次出现时相同或不同，独立地选自-A1QA2-；Q是键、O、S、S(O)或S(O)2；A1和A2相同或不同，每次出现时独立地选自键、C1-3烷基、取代的C1-3烷基、C2-4烯基和取代的C2-4烯基，前提是A1和A2的选择使得环A是一个5至8成员的碳环或杂环； R1至R11如本文所述定义。 还提供了使用这些化合物的药物组合物和治疗炎性疾病、免疫相关疾病、肥胖和糖尿病的方法。
• Substituted aromatic amides and ureas derivatives having
  申请人：Sankyo Company, Limited

  公开号：US05534529A1

  公开（公告）日：1996-07-09

  Compounds of formula (I) are provided: ##STR1## wherein: R.sup.1 represents an alkyl group; or a group of formula (II), (III), (IV) or (V): ##STR2## and wherein the groups R.sup.2, R.sup.3, R.sup.4 and R.sup.5 are hydrogen or various organic groups; and pharmaceutically acceptable salts thereof; as well as methods for the preparation of such compounds and their use in the treatment and prophylaxis of hypercholesteremia and arteriosclerosis.

  提供了化学式（I）的化合物：##STR1## 其中：R.sup.1代表烷基基团；或者是式（II）、（III）、（IV）或（V）的基团：##STR2## 其中基团R.sup.2、R.sup.3、R.sup.4和R.sup.5是氢或各种有机基团；以及其药用可接受盐；以及制备这些化合物的方法以及它们在治疗和预防高胆固醇血症和动脉硬化中的应用。
• Tricyclic heterocyclic compound
  申请人：Sankyo Company, Limited

  公开号：US05563169A1

  公开（公告）日：1996-10-08

  Constitution Tricyclic heterocyclyl compounds having a general formula (I): ##STR1## wherein: R.sup.1 and R.sup.2 each represents H, a lower alkyl or lower alkoxy group, a halogen atom or halogeno-lower alkyl; R.sup.3 represents H or a lower alkyl group; R.sup.4 represents a substituted phenyl or naphthyl group; R.sub.5 represents H or a lower alkyl group; A represents a lower alkylene group; B represents an --O-- or --S-- group; and n is 0-1. Effect The compounds have an excellent activity in the inhibition of acyl-CoA: cholesterol acyltransferase (ACAT) and are useful for the treatment and prophylaxis of atherosclerosis.

  构成 通式（I）的三环杂环化合物：##STR1## 其中：R.sup.1和R.sup.2分别代表H，较低的烷基或较低的烷氧基，卤原子或卤代较低的烷基；R.sup.3代表H或较低的烷基；R.sup.4代表取代的苯基或萘基；R.sub.5代表H或较低的烷基；A代表较低的亚烷基；B代表一个-0-或-S-基团；n为0-1。 效果 这些化合物在抑制酰辅酶A：胆固醇酰基转移酶（ACAT）方面具有出色的活性，并可用于治疗和预防动脉粥样硬化。
• Amide and urea derivatives having anti-hypercholesteremic activity,
  申请人：Sankyo Company, Limited

  公开号：US05614550A1

  公开（公告）日：1997-03-25

  Compounds of formula (I) are provided: ##STR1## wherein: R.sup.1 represents an alkyl group; or a group of formula (II), (III), (IV) or (V): ##STR2## and wherein the groups R.sup.2, R.sup.3, R.sup.4 and R.sup.5 are hydrogen or various organic groups; and pharmaceutically acceptable salts thereof; as well as methods for the preparation of such compounds and their use in the treatment and prophylaxis of hypercholesteremia and arteriosclerosis.

  提供式（I）的化合物：##STR1## 其中：R.sup.1代表烷基；或者代表公式（II）、（III）、（IV）或（V）的基团：##STR2## 其中基团R.sup.2、R.sup.3、R.sup.4和R.sup.5为氢或各种有机基团；以及其药学上可接受的盐；以及制备这些化合物的方法以及它们在高胆固醇血症和动脉硬化的治疗和预防中的用途。
• Piperazine derivatives having sst1 antagonistic activity
  申请人：Troxler J. Thomas

  公开号：US20060079527A1

  公开（公告）日：2006-04-13

  The invention provides compounds of formula (I), wherein X, R 1 and R 2 are as defined in the description, and their preparation. The compounds of formula (I) are useful as pharmaceuticals.

  该发明提供了公式（I）的化合物，其中X，R1和R2如描述中所定义，并提供其制备方法。公式（I）的化合物可用作药物。