tert-butyl (1S,2R)-2-(4-(benzyloxy)phenyl)cyclopropylcarbamate | 1221595-66-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: tert-butyl (1S,2R)-2-(4-(benzyloxy)phenyl)cyclopropylcarbamate
• 英文别名: tert-butyl N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]carbamate
• CAS: 1221595-66-9
• 化学式: C₂₁H₂₅NO₃
• 分子量: 339.4
• InChiKey: KJRNXFVJPCQLFL-MOPGFXCFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Lysine specific demethylase-1 inhibitors and their use
  申请人：ORYZON GENOMICS S.A.

  公开号：US10202330B2

  公开（公告）日：2019-02-12

  The present invention relates to a compound of Formula 1, wherein: (A) is heteroaryl or aryl; each (A′), if present, is independently chosen from aryl, arylalkoxy, arylalkyl, heterocyclyl, aryloxy, halo, alkoxy, haloalkyl, cycloalkyl, haloalkoxy, and cyano, wherein each (A′) is substituted with 0, 1, 2, or 3 substituents independently chosen from halo, haloalkyl, haloalkoxy, aryl, arylalkoxy, alkyl, alkoxy, amido, —CH2C(=0)NH2, heteroaryl, cyano, sulfonyl, and sulfinyl; X is 0, 1, 2, or 3; (B) is a cyclopropyl ring, wherein (A) and (Z) are covalently bonded to different carbon atoms of (B); (Z) is —NH—; (L) is chosen from a single bond, —CH2—, —CH2CH2—, —CH2CH2CH2—, and —CH2CH2CH2CH2—; and (D) is an aliphatic carbocyclic group or benzocycloalkyl, wherein said aliphatic carbocyclic group or said benzocycloalkyl has 0, 1, 2, or 3 substituents independently chosen from —NH2, —NH(C1-C6 alkyl), —N(C1-C6 alkyl)(C1-C6 alkyl), alkyl, halo, amido, cyano, alkoxy, haloalkyl, and haloalkoxy. (A′)X-(A)-(B)—(Z)-(L)-(D) formula (I) The compounds of the invention show activity for inhibiting LSD1, which makes them useful in the treatment or prevention of diseases such as cancer.

  本发明涉及式 1 的化合物，其中：(A)是杂芳基或芳基；每个(A′)（如果存在）独立地选自芳基、芳烷氧基、芳烷基、杂环基、芳氧基、卤代、烷氧基、卤代烷基、环烷基、卤代烷氧基和氰基，其中每个(A′)被 0、1、2 或 3 个取代基，这些取代基独立选自卤代、卤代烷基、卤代烷氧基、芳基、芳基烷氧基、烷基、烷氧基、氨基、- C(=0)NH2、杂芳基、氰基、磺酰基和亚砜基；X 是 0、1、2 或 3；(B) 是环丙基环，其中(A)和(Z)与(B)的不同碳原子共价键合；(Z)是-NH-；(L)选自单键、-CH2-、- -、- -和- -；和 (D) 是脂肪族碳环基团或苯并环烷基，其中所述脂肪族碳环基团或所述苯并环烷基具有 0、1、2 或 3 个取代基，这些取代基独立选自-NH2、-NH(C1-C6 烷基)、-N(C1-C6 烷基)(C1-C6 烷基)、烷基、卤代、氨基、氰基、烷氧基、卤代烷基和卤代烷氧基。(A′)X-(A)-(B)-(Z)-(L)-(D) 式(I) 本发明的化合物显示出抑制 LSD1 的活性，这使它们在治疗或预防癌症等疾病中有用。
• Arylcyclopropylamine based demethylase inhibitors of LSD1 and their medical use
  申请人：Oryzon Genomics S.A.

  公开号：US10233178B2

  公开（公告）日：2019-03-19

  The invention relates to (hetero)aryl cyclopropylamine compounds, including particularly the compounds of formula (I) as described and defined herein, and their use in therapy, including, e.g., in the treatment or prevention of cancer, a neurological disease or condition, or a viral infection. Thus, in one specific aspect the invention relates to formulas (II), (III), (IV), (V), (VI), (VII), (VIII), (IX).

  本发明涉及(杂)芳基环丙胺化合物，特别包括本文所述和定义的式(I)化合物，以及它们在治疗中的用途，包括例如在治疗或预防癌症、神经系统疾病或病症或病毒感染中的用途。因此，在一个具体方面，本发明涉及式 (II)、(III)、(IV)、(V)、(VI)、(VII)、(VIII)、(IX)。
• (Hetero)aryl cyclopropylamine compounds as LSD1 inhibitors
  申请人：Oryzon Genomics, S.A.

  公开号：US10329256B2

  公开（公告）日：2019-06-25

  The invention relates to (hetero)aryl cyclopropylamine compounds, including particularly the compounds of formula I as described and defined herein, and their use in therapy, including, e.g., in the treatment or prevention of cancer, a neurological disease or condition, or a viral infection.

  本发明涉及(杂)芳基环丙胺化合物，尤其包括本文所描述和定义的式 I 化合物，以及它们在治疗中的用途，包括治疗或预防癌症、神经系统疾病或病症或病毒感染等。
• (HETERO)ARYL CYCLOPROPYLAMINE COMPOUNDS AS LSD1 INHIBITORS
  申请人：Oryzon Genomics, S.A.

  公开号：EP2768805B1

  公开（公告）日：2020-03-25
• ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE
  申请人：Oryzon Genomics S.A.

  公开号：US20180127406A1

  公开（公告）日：2018-05-10

  The invention relates to (hetero)aryl cyclopropylamine compounds, including particularly the compounds of formula (I) as described and defined herein, and their use in therapy, including, e.g., in the treatment or prevention of cancer, a neurological disease or condition, or a viral infection. Thus, in one specific aspect the invention relates to formulas (II), (III), (IV), (V), (VI), (VII), (VIII), (IX).