1,3-Benzodioxole, 5-(1-methylethoxy)- | 107828-11-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 1,3-Benzodioxole, 5-(1-methylethoxy)-
• 英文别名: 5-propan-2-yloxy-1,3-benzodioxole
• CAS: 107828-11-5
• 化学式: C₁₀H₁₂O₃
• mdl: MFCD23113436
• 分子量: 180.2
• InChiKey: IGCWRGWKLIFTDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Bicyclic Pyrrole Derivatives
  申请人：Nakahira Hiroyuki

  公开号：US20080318922A1

  公开（公告）日：2008-12-25

  Compounds represented by the general formula (I), prodrugs thereof, or pharmaceutically acceptable salts of both are provided as compounds which have high DPP-IV inhibiting activity and are improved in safety, toxicity and so on: (I) wherein the solid line and dotted line between A 1 and A 2 represents a double bond (A 1 =A 2 ) or the like; A 1 is C(R 4 ) or the like; A 2 is nitrogen atom or the like; R 1 is hydrogen atom, optionally substituted alkyl group, or the like; R 2 is hydrogen atom, optionally substituted alkyl group, or the like; R 3 is hydrogen atom, halogen atom, or the like; R 4 is hydrogen atom, hydroxyl, halogen atom, or the like; and Y is a group represented by the general formula (A) or the like; (A) [wherein m1 is 0, 1, 2 or 3; and the group (A) may be freed from R 6 or substituted with one or two R 6 's which are each independently halogen atom or the like.]

  提供了一种通式(I)、其前药或两者的药物可接受盐作为具有高DPP-IV抑制活性并在安全性、毒性等方面得到改进的化合物：(I)其中A1和A2之间的实线和虚线表示双键(A1=A2)或类似物；A1是C(R4)或类似物；A2是氮原子或类似物；R1是氢原子、可选取代烷基或类似物；R2是氢原子、可选取代烷基或类似物；R3是氢原子、卤原子或类似物；R4是氢原子、羟基、卤原子或类似物；Y是由通式(A)或类似物表示的基团；(A)[其中m1为0、1、2或3；基团(A)可以从R6中释放或用一个或两个R6替代，它们各自独立地是卤原子或类似物。]
• Novel condensed imidazole derivative
  申请人：Nakahira Hiroyuki

  公开号：US20070105890A1

  公开（公告）日：2007-05-10

  Disclosed is a compound represented by the formula (1) below which has a high DPP-IV inhibitory activity and is improved in safety, toxicity and the like. Also disclosed is a prodrug of such a compound and pharmaceutically acceptable salts of them. (In the formula, R 1 represents a hydrogen atom, an optionally substituted alkyl group or the like; R 2 and R 3 independently represent a hydrogen atom, an optionally substituted alkyl group or the like; R 4 and R 5 independently represent a hydrogen atom, an optionally substituted alkyl group or the like: R 6 represents a hydrogen atom, an optionally substituted aryl group or the like; and —Y—NH 2 , represents a group represented by the following formula (A): (wherein m is 0, 1 or 2; and R 7 may not exist or one or two R 7 may exist and independently represent an optionally substituted alkyl group or the like) or the like.]

  公开了一种化合物，其表示为以下式（1），具有较高的DPP-IV抑制活性并且在安全性、毒性等方面得到改善。还公开了这种化合物的前药和它们的药学上可接受的盐。（在该式中，R1表示氢原子，可选择性取代的烷基或类似物; R2和R3独立地表示氢原子，可选择性取代的烷基或类似物; R4和R5独立地表示氢原子，可选择性取代的烷基或类似物：R6表示氢原子，可选择性取代的芳基或类似物; 而—Y—NH2表示由以下式（A）表示的基团：（其中m为0、1或2；而R7可能不存在或一个或两个R7可能存在且独立地表示可选择性取代的烷基或类似物）或类似物。）
• Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity
  申请人：Saha K. Ashis

  公开号：US20080064662A1

  公开（公告）日：2008-03-13

  The present invention relates to compounds which modulate the activity of the S1P1 receptor, the use of these compounds for treating conditions associated with signaling through the S1P1 receptor, and pharmaceutical compositions comprising these compounds.

  本发明涉及调节S1P1受体活性的化合物，使用这些化合物治疗与S1P1受体信号有关的疾病，并包括这些化合物的制药组合物。
• BICYCLIC PYRROLE DERIVATIVES
  申请人：Nakahira Hiroyuki

  公开号：US20090149483A1

  公开（公告）日：2009-06-11

  Compounds represented by the general formula (I), prodrugs thereof, or pharmaceutically acceptable salts of both are provided as compounds which have high DPP-IV inhibiting activity and are improved in safety, toxicity and so on: (I) wherein the solid line and dotted line between A 1 and A 2 represents a double bond (A 1 =A 2 ) or the like; A 1 is C(R 4 ) or the like; A 2 is nitrogen atom or the like; R 1 is hydrogen atom, optionally substituted alkly group, or the like; R 2 is hydrogen atom, optionally substituted alkyl group, or the like; R 3 is hydrogen atom, halogen atom, or the like; R 4 is hydrogen atom, hydroxyl, halogen atom, or the like; and Y is a group represented by the general formula (A) or the like; (A) [wherein m1 is 0, 1, 2 or 3; and the group (A) may be freed from R 6 or substituted with one or two R 6 's which are each independently halogen atom or the like.]

  提供了一种通式(I)、其前药或其药学上可接受的盐，作为具有高DPP-IV抑制活性并在安全性、毒性等方面得到改善的化合物：(I)，其中A1和A2之间的实线和虚线表示双键(A1=A2)或类似结构；A1是C(R4)或类似结构；A2是氮原子或类似结构；R1是氢原子、可选择性取代的烷基或类似结构；R2是氢原子、可选择性取代的烷基或类似结构；R3是氢原子、卤素原子或类似结构；R4是氢原子、羟基、卤素原子或类似结构；Y是由通式(A)或类似结构表示的基团；(A)中，m1为0、1、2或3；且基团(A)可能从R6中解放出来，或被一个或两个独立的R6取代，这些R6分别是卤素原子或类似结构。
• COMPOSITIONS AND METHODS FOR INDUCING OSTEOGENESIS
  申请人：Wu Xu

  公开号：US20080214541A1

  公开（公告）日：2008-09-04

  The present invention provides compositions and methods for differentiating and transdifferentiating mammalian cells into cells of an osteoblast lineage.