3-[((2-甲基丙基)氨基]丙酸叔丁酯 | 175071-95-1

• 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
• 中文名称: 3-[((2-甲基丙基)氨基]丙酸叔丁酯
• 英文名称: 3-Isobutylamino-propionic acid tert-butyl ester
• 英文别名: tert-Butyl 3-[(2-methylpropyl)amino]propanoate；tert-butyl 3-(2-methylpropylamino)propanoate
• CAS: 175071-95-1
• 化学式: C₁₁H₂₃NO₂
• 分子量: 201.309
• InChiKey: CGPMFXIYPBJPLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-[((2-甲基丙基)氨基]丙酸叔丁酯 在 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 54.0h， 生成 3-({3-[Acryloyl-(3-dimethylamino-propyl)-amino]-propionyl}-isobutyl-amino)-propionic acid tert-butyl ester
  参考文献：
  名称：

  Antimicrobial β-peptoids by a block synthesis approach

  摘要：

  Antimicrobial peptides and their mimetics offer a potential new disinfective tool. beta-Peptoids (oligo-N-substituted beta-alanines) were synthesized and investigated for antimicrobial activity. A block approach whereby di- and tri-beta-peptoids were first prepared and then ligated via amide bond formation to synthesize larger beta-peptoids was developed. The beta-peptoids were found to possess moderate activity in an Escheridchia coli assay. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.075
• 作为产物：
  描述：

  丙烯酸叔丁酯 、 异丁胺 以 甲醇 为溶剂， 反应 48.0h， 生成 3-[((2-甲基丙基)氨基]丙酸叔丁酯
  参考文献：
  名称：

  Antimicrobial β-peptoids by a block synthesis approach

  摘要：

  Antimicrobial peptides and their mimetics offer a potential new disinfective tool. beta-Peptoids (oligo-N-substituted beta-alanines) were synthesized and investigated for antimicrobial activity. A block approach whereby di- and tri-beta-peptoids were first prepared and then ligated via amide bond formation to synthesize larger beta-peptoids was developed. The beta-peptoids were found to possess moderate activity in an Escheridchia coli assay. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.075

文献信息

• KRAS G12C INHIBITORS AND METHODS OF USING THE SAME
  申请人：AMGEN INC.

  公开号：US20180177767A1

  公开（公告）日：2018-06-28

  Provided herein are KRAS G12C inhibitors, composition of the same, and methods of using the same. These inhibitors are useful for treating a number of disorders, including pancreatic, colorectal, and lung cancers.

  本文提供了KRAS G12C抑制剂，其组成，以及使用方法。这些抑制剂对治疗多种疾病有用，包括胰腺癌、结直肠癌和肺癌。
• BENZOISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER
  申请人：Amgen Inc.

  公开号：EP4001269A1

  公开（公告）日：2022-05-25

  Provided herein are compounds of formulae (I), (II), (III), (III´), (IV), (IV´) and (V): as KRAS G12C inhibitors for use in treating cancer, such as e.g. pancreatic, colorectal and lung cancer. Preferred compounds are e.g. benzoisothiazole, isothiazolo[3,4-b]pyridine, quinazoline, phthalazine, pyrido[2,3-d]pyridazine and pyrido[2,3-d]pyrimidine derivatives. An exemplary compound is e.g. 1-(4-(6-(2-bromo-5-hydroxyphenyl)-5-chloro-7-fluorobenzo[c]isothiazol-3-yl)piperazin-1-yl)prop-2-en-1-one (example 1-1):

  这里提供的是式 (I)、(II)、(III)、(III´)、(IV)、(IV´) 和 (V) 的化合物： 作为 KRAS G12C 抑制剂用于治疗癌症，如胰腺癌、结直肠癌和肺癌。 首选化合物为苯并异噻唑、异噻唑并[3,4-b]吡啶、喹唑啉、酞嗪、吡啶并[2,3-d]哒嗪和吡啶并[2,3-d]嘧啶衍生物等。 例如，1-(4-(6-(2-溴-5-羟基苯基)-5-氯-7-氟苯并[c]异噻唑-3-基)哌嗪-1-基)丙-2-烯-1-酮（例 1-1）就是一种示例性化合物：
• KRAS G12C inhibitors and methods of using the same
  申请人：Amgen Inc.

  公开号：US10519146B2

  公开（公告）日：2019-12-31

  Provided herein are KRAS G12C inhibitors, composition of the same, and methods of using the same. These inhibitors are useful for treating a number of disorders, including pancreatic, colorectal, and lung cancers.

  本文提供了 KRAS G12C 抑制剂、其组合物以及使用方法。这些抑制剂可用于治疗多种疾病，包括胰腺癌、结直肠癌和肺癌。
• PHENYL AMIDINES DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS
  申请人：G.D. SEARLE & CO.

  公开号：EP0574545B1

  公开（公告）日：1994-11-30
• BENZISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER
  申请人：Amgen Inc.

  公开号：EP3558955B1

  公开（公告）日：2021-08-11