2-Isocyanato-essigsaeure-isopropylester | 60143-50-2

• 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: 2-Isocyanato-essigsaeure-isopropylester
• 英文别名: Acetic acid, isocyanato-, 1-methylethyl ester；propan-2-yl 2-isocyanatoacetate
• CAS: 60143-50-2
• 化学式: C₆H₉NO₃
• mdl: MFCD10011071
• 分子量: 143.142
• InChiKey: KWNFHSIELNQHAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  55.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Isocyanato-essigsaeure-isopropylester 以 水 、 丙酮 为溶剂， 生成 N,N'-Bis-isopropyloxycarbonylmethyl-harnstoff
  参考文献：
  名称：

  Formation and Properties of Isocyanates Derived from Amino Ester Hydrochlorides

  摘要：

  DOI：

  10.1021/jo01351a088
• 作为产物：
  描述：

  光气 、 甘氨酸异丙酯盐酸盐 生成 2-Isocyanato-essigsaeure-isopropylester
  参考文献：
  名称：

  Formation and Properties of Isocyanates Derived from Amino Ester Hydrochlorides

  摘要：

  DOI：

  10.1021/jo01351a088

文献信息

• 1, 2, 4-TRIAZOLONE DERIVATIVE
  申请人：Kuwada Takeshi

  公开号：US20130197217A1

  公开（公告）日：2013-08-01

  The present invention provides a 1,2,4-triazolone derivative represented by Formula (1A) having an antagonistic activity on the arginine-vasopressin 1b receptor or a pharmaceutically acceptable salt thereof and provides a pharmaceutical composition comprising the compound or the salt as an active ingredient, in particular, a therapeutic or preventive agent exhibiting favorable pharmacokinetics in a disease such as mood disorder, anxiety disorder, schizophrenia, Alzheimer's disease, Parkinson's disease, Huntington's chorea, eating disorder, hypertension, gastrointestinal disease, drug addiction, epilepsy, cerebral infarction, cerebral ischemia, cerebral edema, head injury, inflammation, immune-related disease, or alopecia.

  本发明提供了一种1,2,4-三唑酮衍生物，其表示为式（1A），具有对精氨酸加压素1b受体的拮抗活性或其药用盐，并提供了包含该化合物或盐作为活性成分的药物组合物，特别是在诸如情绪障碍、焦虑障碍、精神分裂症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、进食障碍、高血压、胃肠疾病、药物成瘾、癫痫、脑梗死、脑缺血、脑水肿、头部损伤、炎症、免疫相关疾病或脱发等疾病中展现良好药代动力学的治疗或预防剂。
• 1,2,4-TRIAZOLONE DERIVATIVE
  申请人：TAISHO PHARMACEUTICAL CO., LTD

  公开号：EP2623499A1

  公开（公告）日：2013-08-07

  The present invention provides a 1,2,4-triazolone derivative represented by Formula (1A) having an antagonistic activity on the arginine-vasopressin 1b receptor or a pharmaceutically acceptable salt thereof and provides a pharmaceutical composition comprising the compound or the salt as an active ingredient, in particular, a therapeutic or preventive agent exhibiting favorable pharmacokinetics in a disease such as mood disorder, anxiety disorder, schizophrenia, Alzheimer's disease, Parkinson's disease, Huntington's chorea, eating disorder, hypertension, gastrointestinal disease, drug addiction, epilepsy, cerebral infarction, cerebral ischemia, cerebral edema, head injury, inflammation, immune-related disease, or alopecia.

  本发明提供了一种由式（1A）表示的对精氨酸-血管加压素 1b 受体具有拮抗活性的 1，2，4-三唑酮衍生物或其药学上可接受的盐，并提供了一种包含该化合物或该盐作为活性成分的药物组合物，特别是、在诸如情绪障碍、焦虑症、精神分裂症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、饮食失调、高血压、胃肠道疾病、药物成瘾、癫痫、脑梗塞、脑缺血、脑水肿、头部损伤、炎症、免疫相关疾病或脱发等疾病中表现出良好药代动力学的治疗剂或预防剂。
• Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer
  申请人：ASAHI KASEI KABUSHIKI KAISHA

  公开号：US11118001B2

  公开（公告）日：2021-09-14

  An isocyanate composition according to the present invention contains an isocyanate compound of formula (1) and/or (2) (wherein R1 represents a hydrogen or a monovalent organic group, and R2 represents a monovalent organic group), and, relative to the total mass of the isocyanate compound in the composition, 1.0 ppm by mass to 10% by mass of a compound of formula (3): R13—(COO—R14)a (wherein R13 represents an organic group with a valence of a, R14 represents a monovalent organic group, and a represents an integer of 1 or 2), which is different from the isocyanate compound, and/or, 1.0 ppm by mass to 10% by mass of a compound having an UV absorption in an area of decamer or higher isocyanates in a measurement spectrum of gel permeation chromatography.

  根据本发明的异氰酸酯组合物含有式(1)和/或(2)的异氰酸酯化合物(其中 R1 代表氢或一价有机基团，R2 代表一价有机基团)，以及相对于组合物中异氰酸酯化合物的总质量，1.0ppm(质量)至 10%(质量)的式(3)化合物：R13-(COO-R14)a（其中 R13 代表价数为 a 的有机基团，R14 代表一价有机基团，a 代表 1 或 2 的整数），该化合物与异氰酸酯化合物不同，和/或，在凝胶渗透色谱法的测量光谱中，在十聚体或更高异氰酸酯区域具有紫外吸收的化合物的质量百分比为 1.0 ppm 至 10%。
• 1,2,4-triazolone derivative
  申请人：TAISHO PHARMACEUTICAL CO., LTD

  公开号：EP2623499B1

  公开（公告）日：2015-04-22
• ISOCYANATE COMPOSITION, METHOD FOR PRODUCING ISOCYANATE COMPOSITION, AND METHOD FOR PRODUCING ISOCYANATE POLYMER
  申请人：ASAHI KASEI KABUSHIKI KAISHA

  公开号：US20200048403A1

  公开（公告）日：2020-02-13

  An isocyanate composition according to the present invention contains an isocyanate compound of formula (1) and/or (2) (wherein R 1 represents a hydrogen or a monovalent organic group, and R 2 represents a monovalent organic group), and, relative to the total mass of the isocyanate compound in the composition, 1.0 ppm by mass to 10% by mass of a compound of formula (3): R 13 —(COO—R 14 )a (wherein R 13 represents an organic group with a valence of a, R 14 represents a monovalent organic group, and a represents an integer of 1 or 2), which is different from the isocyanate compound, and/or, 1.0 ppm by mass to 10% by mass of a compound having an UV absorption in an area of decamer or higher isocyanates in a measurement spectrum of gel permeation chromatography.