[1-(2-氨基-苯基)-乙基]-氨基甲酸叔丁酯 | 889949-44-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: [1-(2-氨基-苯基)-乙基]-氨基甲酸叔丁酯
• 英文名称: [(2-Aminophenyl)ethyl]carbamic acid tert-butyl ester
• 英文别名: N-(2-aminophenylethyl)carbamic acid t-butyl ester；tert-Butyl (1-(2-aminophenyl)ethyl)carbamate；tert-butyl N-[1-(2-aminophenyl)ethyl]carbamate
• CAS: 889949-44-4
• 化学式: C₁₃H₂₀N₂O₂
• 分子量: 236.314
• InChiKey: AGRYXJXORFJLEB-UHFFFAOYSA-N

物化性质

• 沸点：
  385.7±25.0 °C(Predicted)
• 密度：
  1.073±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2924299090

文献信息

• THIENYL [3,2-D] PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF
  申请人：SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

  公开号：US20140323466A1

  公开（公告）日：2014-10-30

  Disclosed are new thienyl[3,2-d]pyrimidin-4-one compounds shown as the general formula (I), preparation method, pharmaceutical compositions and pharmacological use thereof. The compounds are strong DPPIV (dipeptide peptidase IV) inhibitors and can treat type II diabetes through well inhibiting DPPIV indirectly increasing the content of GLP-1 in vivo and inducing a series of physiological actions in vivo. Therefore, the compounds could be developed as new promising drugs for treating diabetes.

  本文披露了新的噻吩基[3,2-d]嘧啶-4-酮化合物，其一般式为(I)，以及其制备方法、药物组合物和药理用途。这些化合物是强效的DPPIV（二肽肽酶IV）抑制剂，可以通过有效抑制DPPIV间接增加体内GLP-1的含量，并在体内诱导一系列生理作用来治疗II型糖尿病。因此，这些化合物可以作为治疗糖尿病的新型有前途的药物进行开发。
• Selective neuronal nitric oxide synthase inhibitors
  申请人：——

  公开号：US20030119751A1

  公开（公告）日：2003-06-26

  Peptidomimetic compositions for selective inhibition of neuronal nitric oxide synthase.

  用于选择性抑制神经元一氧化氮合酶的肽类模拟物组合。
• ETHYLENE DIAMINE MODULATORS OF FATTY ACID HYDROLASE
  申请人：Hawryluk Natalie A.

  公开号：US20120149696A1

  公开（公告）日：2012-06-14

  Certain ethylene diamine compounds of Formula (I) are described, which are useful as FAAH inhibitors. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by fatty acid amide hydrolase (FAAH) activity, such as anxiety, pain, inflammation, sleep disorders, eating disorders, energy metabolism disorders, and movement disorders (e.g., multiple sclerosis). Methods of synthesizing such compounds are also disclosed.

  本文描述了公式（I）的某些乙烯二胺化合物，它们可用作FAAH抑制剂。这些化合物可用于制备药物组合物和治疗由脂肪酸酰胺水解酶（FAAH）活性介导的疾病状态、疾病和情况，如焦虑、疼痛、炎症、睡眠障碍、进食障碍、能量代谢障碍和运动障碍（例如多发性硬化症）的方法。还公开了合成这些化合物的方法。
• ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：EP0798292A1

  公开（公告）日：1997-10-01

  Compounds represented by the general formula (1): (where R1 is SR6 or NR7R8, where R6 is typically an alkyl group having 1 - 6 carbon atoms, R7 is a hydrogen atom, an alkyl group having 1 - 6 carbon atoms or a nitro group, and R8 is a hydrogen atom or an alkyl group having 1 - 6 carbon atoms; R2 and R3 are each typically a hydrogen atom or an alkyl group having 1 - 6 carbon atoms; R4 is a hydrogen atom, an alkyl group having 1 - 6 carbon atoms or an amidino group of which the amine portion may be substituted by an alkyl or nitro group; R5 is a hydrogen atom or an alkyl group having 1 - 6 carbon atoms; Y1, Y2, Y3 and Y4 which may be the same or different are each typically a hydrogen atom, a halogen atom or an alkoxy group having 1 - 6 carbon atoms; n and m are each an integer of 0 or 1), or possible stereoisomers or optically active forms of the compounds or pharmaceutically acceptable salts thereof. The compounds possess a potent nitric oxide synthase inhibiting activity and are useful as therapeutics of cerebrovascular diseases.

  通式(1)所代表的化合物： (其中 R1 是 SR6 或 NR7R8，其中 R6 通常是具有 1-6 个碳原子的烷基，R7 是氢原子、具有 1-6 个碳原子的烷基或硝基，R8 是氢原子或具有 1-6 个碳原子的烷基；R2 和 R3 通常各自是氢原子或具有 1-6 个碳原子的烷基；R4 是氢原子、具有 1-6 个碳原子的烷基或脒基，其中胺部分可被烷基或硝基取代；R5是氢原子或具有 1 - 6 个碳原子的烷基；Y1、Y2、Y3 和 Y4 可以相同或不同，通常各自是氢原子、卤素原子或具有 1 - 6 个碳原子的烷氧基；n 和 m 分别是 0 或 1 的整数），或化合物的可能立体异构体或光学活性形式，或其药学上可接受的盐。这些化合物具有强效的一氧化氮合酶抑制活性，可用于治疗脑血管疾病。
• THIENYL [3, 2-D]PYRIMIDIN-4-ONE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF
  申请人：Shanghai Institute of Materia Medica, Chinese Academy of Sciences

  公开号：EP2786998B1

  公开（公告）日：2018-07-25