(R)-2-amino-N-cyclopentylpropanamide | 1308977-61-8

• 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: (R)-2-amino-N-cyclopentylpropanamide
• 英文别名: (2R)-2-amino-N-cyclopentylpropanamide
• CAS: 1308977-61-8
• 化学式: C₈H₁₆N₂O
• 分子量: 156.228
• InChiKey: FKQVZJBUPCYIJN-ZCFIWIBFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (R)-2-amino-N-cyclopentylpropanamide 、 3-甲硫基苯硼酸 在 copper diacetate 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成 (R)-N-cyclopentyl-2-((3-(methylthio)phenyl)amino)propanamide
  参考文献：
  名称：

  Discovery of 2-oxopiperazine dengue inhibitors by scaffold morphing of a phenotypic high-throughput screening hit

  摘要：

  A series of 2-oxopiperazine derivatives were designed from the pyrrolopiperazinone cell-based screening hit 4 as a dengue virus inhibitor. Systematic investigation of the structure-activity relationship (SAR) around the piperazinone ring led to the identification of compound (S)-29, which exhibited potent anti-dengue activity in the cell-based assay across all four dengue serotypes with EC50 < 0.1 mu M. Cross resistant analysis confirmed that the virus NS4B protein remained the target of the new oxopiperazine analogs obtained via scaffold morphing from the HTS hit 4. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2017.02.005
• 作为产物：
  描述：

  (R)-tert-butyl (1-(cyclopentylamino)-1-oxopropan-2-yl)carbamate 在 三乙基硅烷 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 (R)-2-amino-N-cyclopentylpropanamide
  参考文献：
  名称：

  [EN] HETEROCYCLE-BISAMIDE INHIBITORS OF SCAVENGER RECEPTOR BI
  [FR] INHIBITEURS HÉTÉROCYCLE - BISAMIDE DE RÉCEPTEUR ÉBOUEUR BI

  摘要：

  公开号：

  WO2014063168A8

文献信息

• HETEROCYCLE-BISAMIDE INHIBITORS OF SCAVENGER RECEPTOR BI
  申请人：THE BROAD INSTITUTE, INC.

  公开号：US20150284371A1

  公开（公告）日：2015-10-08

  This application describes compounds and methods that can inhibit Scavenger receptor class B, type I (SR-BI) activity, which compounds and methods can be used, for example, to mediate high-density lipoprotein (HDL) lipid uptake and treat hepatitis C viral infections. The compounds have the formula: wherein R 1 and R 2 are independently H, halogen, cyano, haloalkyl, haloalkyloxy or OMe; or R 1 and R 2 together are —O—CH 2 — or -0- CF 2 —O—; R 3 is H, halogen, cyano, haloalkyl or haloalkyloxy; R 4 is C 1-6 alkyl, C 3-6 cycloalkyl, C 3-6 cycloalkylmethyl or C 3-6 cycloheteroalkyl, wherein the heteroatom is N or 0; R 5 is H or CH 3 ; R 6 is C 1-6 alkyl or C 3-6 cycloalkyl; and A, B, D and E are each, independently, CH, N, 0 or S, wherein at least one of A, B, D and E is N, and another of A, B, D and E is N, 0 or S.

  该申请描述了一种可以抑制清道夫受体B类，类型I（SR-BI）活性的化合物和方法，这些化合物和方法可以用于介导高密度脂蛋白（HDL）脂质摄取和治疗丙型肝炎病毒感染。这些化合物的化学式为：其中R1和R2独立地为H，卤素，氰基，卤代烷基，卤代烷氧基或OMe；或者R1和R2在一起为—O—CH2—或-0-CF2—O—；R3为H，卤素，氰基，卤代烷基或卤代烷氧基；R4为C1-6烷基，C3-6环烷基，C3-6环烷基甲基或C3-6环杂烷基，其中杂原子为N或O；R5为H或CH3；R6为C1-6烷基或C3-6环烷基；而A、B、D和E分别独立地为CH、N、O或S，其中至少一个为N，另一个为N、O或S。
• 2-quinolone derived inhibitors of BCL6
  申请人：Cancer Research Technology Limited

  公开号：US11161839B2

  公开（公告）日：2021-11-02

  The present invention relates to compounds of formula I that function as inhibitors of BCL6 (B-cell lymphoma 6) activity: Formula I wherein X1, X2, X3, R1, R2, R3, R4 and R5 are each as defined herein. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of proliferative disorders, such as cancer, as well as other diseases or conditions in which BCL6 activity is implicated.

  本发明涉及作为 BCL6（B 细胞淋巴瘤 6）活性抑制剂的式 I 化合物： 式 I 其中 X1、X2、X3、R1、R2、R3、R4 和 R5 各如本文所定义。 本发明还涉及这些化合物的制备工艺、包含这些化合物的药物组合物，以及它们在治疗增殖性疾病（如癌症）和其他涉及 BCL6 活性的疾病或病症中的用途。
• 2-QUINOLONE DERIVED INHIBITORS OF BCL6
  申请人：Cancer Research Technology Limited

  公开号：US20210206756A1

  公开（公告）日：2021-07-08

  The present invention relates to compounds of formula I that function as inhibitors of BCL6 (B-cell lymphoma 6) activity: Formula I wherein X 1 , X 2 , X 3 , R 1 , R 2 , R 3 , R 4 and R 5 are each as defined herein. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of proliferative disorders, such as cancer, as well as other diseases or conditions in which BCL6 activity is implicated.
• US9884851B2
  申请人：——

  公开号：US9884851B2

  公开（公告）日：2018-02-06
• [EN] HETEROCYCLE-BISAMIDE INHIBITORS OF SCAVENGER RECEPTOR BL<br/>[FR] INHIBITEURS HÉTÉROCYCLE - BISAMIDE DE RÉCEPTEUR ÉBOUEUR BL
  申请人：BROAD INST INC

  公开号：WO2014063168A1

  公开（公告）日：2014-04-24

  This appl ication describes compounds and methods that can inhibit Scavenger receptor class B, type I (SR-BI) activity, wh ich compounds and methods can be used, for example, to med iate h igh-density l ipoprotein (H DL) l ipid uptake and treat hepatitis C vira l infections. The compounds have the formu la : wherein R1 and R2 are independently H, halogen, cyano, haloalkyl, ha loa lkyloxy or OMe; or R1 and R2 together are -O-CH2-O- or -0- CF2-O-; R3 is H, ha logen, cyano, ha loalkyl or ha loa lkyloxy; R4 is C1-6alkyl, C3-6cycloalkyl, C3-6cycloalkylmethyl or C3-6cycloheteroalkyl, wherein the heteroatom is N or 0; R5 is H or CH3; R6 is C1-6alkyl or C3-6cycloalkyl; and A, B, D and E are each, independently, CH, N, 0 or S, wherein at least one of A, B, D and E is N, and another of A, B, D and E is N, 0 or S.