2,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylic acid | 952511-65-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 2,2-dimethyl-2,3-dihydro-1H-indene-5-carboxylic acid
• 英文别名: 2,2-dimethyl-1,3-dihydroindene-5-carboxylic acid
• CAS: 952511-65-8
• 化学式: C₁₂H₁₄O₂
• 分子量: 190.24
• InChiKey: OETAGHMATZNMKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF
  申请人：JAPAN TOBACCO INC.

  公开号：US20160194290A1

  公开（公告）日：2016-07-07

  A compound of Formula [I] or a pharmaceutically acceptable salt thereof: wherein each symbol is defined as in the specification.

  化合物的结构式[I]或其药用盐：其中每个符号的定义如规范中所述。
• HETERO COMPOUND
  申请人：HARADA Hironori

  公开号：US20090076070A1

  公开（公告）日：2009-03-19

  [Problems] To provide a useful compound as an active ingredient for a preventing and/or treating agent for rejection in the transplantation of an organ, bone marrow, or a tissue, an autoimmune disease, or the like, which has an excellent S1P 1 agonist activity. [Means for Solving] Since the compound of the invention has an S1P 1 agonist activity, it is useful as an active ingredient for a treating or preventing agent for a disease caused by unfavorable lymphocytic infiltration, for example, an autoimmune disease such as graft rejection in the transplantation of an organ, bone marrow, or a tissue, a graft-versus-host disease, rheumatic arthritis, multiple sclerosis, systemic lupus erythematosus, a nephrotic syndrome, encephalomeningitis, myasthenia gravis, pancreatitis, hepatitis, nephritis, diabetes, pulmonary disorder, asthma, atopic dermatitis, inflammatory bowel disease, atherosclerosis, ischemia-reperfusion injury, or an inflammatory disease, and further, a disease caused by the abnormal growth or accumulation of cells such as cancer and leukemia.

  [问题] 提供一种有优异S1P1激动剂活性的化合物，作为器官、骨髓或组织移植、自身免疫性疾病等引起的排异的预防和/或治疗剂的有效活性成分。 [解决方法] 由于本发明的化合物具有S1P1激动剂活性，因此可用作治疗或预防由不良淋巴细胞浸润引起的疾病的活性成分，例如器官、骨髓或组织移植的移植排斥、移植物抗宿主病、风湿性关节炎、多发性硬化症、全身性红斑狼疮、肾病综合症、脑脊髓炎、重症肌无力、胰腺炎、肝炎、肾炎、糖尿病、肺部疾病、哮喘、特应性皮炎、炎症性肠病、动脉粥样硬化、缺血再灌注损伤或异常细胞生长或积累引起的癌症和白血病等疾病。
• DIHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF
  申请人：JAPAN TOBACCO INC.

  公开号：EP3231793A1

  公开（公告）日：2017-10-18

  A compound of Formula [I] or a pharmaceutically acceptable salt thereof: wherein each symbol is defined as in the specification.

  式 [I] 的化合物或其药学上可接受的盐： 其中各符号定义如说明书。
• DIYHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF
  申请人：Japan Tobacco Inc.

  公开号：EP3744713A1

  公开（公告）日：2020-12-02

  A RORγ inhibitor of Formula [I] or a pharmaceutically acceptable salt thereof: wherein each symbol is defined as in the specification.

  式[I]的 RORγ 抑制剂或其药学上可接受的盐： 其中各符号的定义见说明书。
• Dihydropyrimidin-2-one compounds and medical use thereof
  申请人：JAPAN TOBACCO INC.

  公开号：US10196363B2

  公开（公告）日：2019-02-05

  A compound of Formula [I] or a pharmaceutically acceptable salt thereof: wherein each symbol is defined as in the specification.

  式 [I] 的化合物或其药学上可接受的盐： 其中各符号定义如说明书。