carbamic acid-(3-hydroxy-2,2-dimethyl-propyl ester) | 98278-32-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: carbamic acid-(3-hydroxy-2,2-dimethyl-propyl ester)
• 英文别名: Carbamidsaeure-(3-hydroxy-2,2-dimethyl-propylester)；3-Carbamoyloxy-2,2-dimethyl-propan-1-ol；(3-Hydroxy-2,2-dimethylpropyl) carbamate
• CAS: 98278-32-1
• 化学式: C₆H₁₃NO₃
• mdl: MFCD09608060
• 分子量: 147.174
• InChiKey: JBWNSUPYJSWHTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  72.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,2-二甲基-1,3-丙二醇 在 安替比林 、 氯仿 、 氨 、 甲苯 作用下， 生成 carbamic acid-(3-hydroxy-2,2-dimethyl-propyl ester)
  参考文献：
  名称：

  Some Anticonvulsant Agents Derived from 1,3-Propanediols

  摘要：

  DOI：

  10.1021/ja01156a086

文献信息

• Heterocyclic Derivative and Pharmaceutical Drug
  申请人：Otsu Hironori

  公开号：US20140221339A1

  公开（公告）日：2014-08-07

  The present invention provides a novel heterocyclic derivative or a pharmaceutically acceptable salt thereof. For example, the present invention provides a heterocyclic derivative of the general formula [1] or its tautomer, or a pharmaceutically acceptable salt thereof: wherein R 1 and R 2 are the same or different aromatic rings, etc., and ring A is a heterocyclic ring. The compound of the invention or a pharmaceutically acceptable salt thereof has potent mPGES-1 inhibiting activity and is useful as an agent for the treatment or prevention of a disease, such as rheumatoid arthritis, osteoarthritis, temporomandibular joint disorders, low back pain, endometriosis, dysmenorrhea, overactive bladder, malignant tumors or neurodegenerative disease.

  本发明提供了一种新型的杂环衍生物或其药学上可接受的盐。例如，本发明提供了一种通式[1]或其互变异构体的杂环衍生物，或其药学上可接受的盐：其中R1和R2是相同或不同的芳香环等，环A是杂环。本发明的化合物或其药学上可接受的盐具有强效的mPGES-1抑制活性，并可用作治疗或预防疾病的药物，例如类风湿性关节炎、骨关节炎、颞下颌关节紊乱、腰痛、子宫内膜异位症、痛经、过度活动的膀胱、恶性肿瘤或神经退行性疾病的药物。
• HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL DRUG
  申请人：Nippon Shinyaku Co., Ltd.

  公开号：EP2746265A1

  公开（公告）日：2014-06-25

  The present invention provides a novel heterocyclic derivative or a pharmaceutically acceptable salt thereof. For example, the present invention provides a heterocyclic derivative of the general formula [1] or its tautomer, or a pharmaceutically acceptable salt thereof: wherein R1 and R2 are same or diferent aromatic ring, etc., and ring A is a heterocyclic ring. The compound of the invention or a pharmaceutically acceptable salt thereof has potent mPGES-1 inhibiting activity and is useful as an agent for the treatment or prevension of a disease, such as rheumatoid arthritis, osteoarthritis, temporomandibular joint disorders, low back pain, endometriosis, dysmenorrhea, overactive bladder, malignant tumors or neurodegenerative disease.

  本发明提供了一种新型杂环衍生物或其药学上可接受的盐。例如，本发明提供了通式[1]的杂环衍生物或其同系物，或其药学上可接受的盐： 其中 R1 和 R2 是相同或不同的芳香环等，环 A 是杂环。 本发明的化合物或其药学上可接受的盐具有强效的 mPGES-1 抑制活性，可用作治疗或预防疾病的药物，如类风湿性关节炎、骨关节炎、颞下颌关节紊乱、腰背痛、子宫内膜异位症、痛经、膀胱过度活动症、恶性肿瘤或神经退行性疾病。
• Unsaturated compounds containing carbamate terminal groups or urea terminal groups
  申请人：——

  公开号：US20040097642A1

  公开（公告）日：2004-05-20

  A compound contains at least one unsaturated free-radically or cationically polymerizable group and at least one carbamate or urea end group.

  一种化合物含有至少一个不饱和自由基或阳离子可聚合基团和至少一个氨基甲酸酯或脲末端基团。
• HETEROCYCLIC DERIVATIVE AS MICROSOMAL PROSTAGLANDIN E SYNTHASE (mPGEs) INHIBITOR
  申请人：Nippon Shinyaku Co., Ltd.

  公开号：EP2746265B1

  公开（公告）日：2015-11-18
• Organic Carbonates. IV.^1a,b,c Factors Affecting Formation of Homologous Cyclic Carbonates
  作者：SHALOM SAREL、LEO A. POHORYLES、RAPHAEL BEN-SHOSHAN

  DOI：10.1021/jo01094a010

  日期：1959.12