3-[(9H)-xanthen-9-yl]propionic acid | 864294-64-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-[(9H)-xanthen-9-yl]propionic acid
• 英文别名: 9H-Xanthene-9-propanoic acid；3-(9H-xanthen-9-yl)propanoic acid
• CAS: 864294-64-4
• 化学式: C₁₆H₁₄O₃
• 分子量: 254.285
• InChiKey: XDKITDYMWBKDKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-[(9H)-xanthen-9-yl]propionic acid 在 lithium aluminium tetrahydride 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 3-(9H-9-xanthenyl)propanal
  参考文献：
  名称：

  Design, synthesis and preliminary evaluation of novel 3′-Substituted carboxycyclopropylglycines as antagonists at group 2 metabotropic glutamate receptors

  摘要：

  Two novel 3'-substituted carboxycylopropylglycines, (2S,1'S,2'S,3'R)-2-(3'- xanthenylmethyl-2'-carboxycyclopropyl)glycine (8a) and (2S,1'S,2'S,3'R)-2-(3'-xanthenylethyl-2'-carboxycyclopropyl)glycine (8b), were synthesized and evaluated as mGluR ligands. Compound 8b showed to be a potent group II antagonist with submicromolar activity. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00656-4
• 作为产物：
  描述：

  (9H-氧杂蒽-9-基)-乙酸 在 氯化亚砜 、 silver benzoate 、 三乙胺 作用下， 以 四氢呋喃 、 乙醚 、 苯 为溶剂， 生成 3-[(9H)-xanthen-9-yl]propionic acid
  参考文献：
  名称：

  Design, synthesis and preliminary evaluation of novel 3′-Substituted carboxycyclopropylglycines as antagonists at group 2 metabotropic glutamate receptors

  摘要：

  Two novel 3'-substituted carboxycylopropylglycines, (2S,1'S,2'S,3'R)-2-(3'- xanthenylmethyl-2'-carboxycyclopropyl)glycine (8a) and (2S,1'S,2'S,3'R)-2-(3'-xanthenylethyl-2'-carboxycyclopropyl)glycine (8b), were synthesized and evaluated as mGluR ligands. Compound 8b showed to be a potent group II antagonist with submicromolar activity. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00656-4

文献信息

• Ｓ１Ｐ３受容体拮抗薬
  申请人：トーアエイヨー株式会社

  公开号：JP2005247691A

  公开（公告）日：2005-09-15

  PROBLEM TO BE SOLVED: To obtain a compound having selective SIP3 receptor antagonism and a medicine containing the same.

  SOLUTION: The medicine comprises an aminopropionic acid derivative represented by general formula (1) (R1is a hydrogen atom or a lower alkyl group; R2is formula A; A is CO or CH2; E is an oxygen atom or an NR4; R3is a lower alkyl group or formula B; G is CH, a nitrogen atom or a phosphorus atom; J is an oxygen atom or a sulfur atom; R4is a hydrogen atom or a lower alkyl group; R5, R6and R7are each the same or different and a hydrogen atom, a lower alkyl group, a lower alkoxy group, a halogen atom, a nitro group or a haloalkyl group; m is an integer of 1-8; n is an integer of 1-5) or its pharmaceutically permissible salt as an active ingredient.

  COPYRIGHT: (C)2005,JPO&NCIPI

  需要解决的问题：获得具有选择性SIP3受体拮抗作用的化合物和含有该化合物的药物。 解决方案：所述药物包含一种由通式（1）表示的氨基丙酸衍生物（其中R1为氢原子或较低的烷基；R2为公式A；A为CO或CH2；E为氧原子或NR4；R3为较低的烷基或公式B；G为CH、氮原子或磷原子；J为氧原子或硫原子；R4为氢原子或较低的烷基；R5、R6和R7分别相同或不同，为氢原子、较低的烷基、较低的烷氧基、卤素原子、硝基或卤代烷基；m为1-8的整数；n为1-5的整数），或其药学上可接受的盐作为活性成分。 版权所有：（C）2005，JPO&NCIPI
• SPM 927 FOR ADD-ON THERAPY OF SCHIZOPHRENIA
  申请人：SCHWARZ PHARMA AG

  公开号：EP1841417A2

  公开（公告）日：2007-10-10
• [EN] LACOSAMIDE FOR ADD-ON-THERAPY<br/>[FR] LACOSAMIDE POUR TRAITEMENT D'APPOINT
  申请人：SANOL ARZNEI SCHWARZ GMBH

  公开号：WO2006079547A2

  公开（公告）日：2006-08-03

  [EN] The present invention is directed to the use of a class of peptide compounds for the prevention, alleviation or/and treatment of a disease that is treated with antipsychotics, in particular psychosis, more particular schizophrenia, in an add-on therapy to at least one antipsychotic.
  [FR] La présente invention concerne l'utilisation d'une classe de composés peptidiques pour la prévention, le soulagement et/ou le traitement d'une maladie qui est traitée à l'aide d'antipsychotiques, en particulier la psychose, plus particulièrement la schizophrénie, dans un traitement d'appoint d'au moins un antipsychotique.