2-(dibenzylamino)cyclopentanone | 68543-47-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(dibenzylamino)cyclopentanone
• 英文别名: 2-Dibenzylamino-1-cyclopentanon；2-(dibenzylamino)cyclopentan-1-one
• CAS: 68543-47-5
• 化学式: C₁₉H₂₁NO
• mdl: MFCD32691217
• 分子量: 279.382
• InChiKey: HIUMGKLRRQVUEG-UHFFFAOYSA-N

物化性质

• 熔点：
  74 °C
• 沸点：
  412.4±40.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.315
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(dibenzylamino)cyclopentanone 在 三氟甲磺酸 作用下， 以95%的产率得到7,12-dihydro-5H-6,12-methano-6,13-propanodibenzazocine
  参考文献：
  名称：

  Suzuki, Takayoshi; Takamoto, Masayuki; Okamoto, Toshihiko, Chemical and pharmaceutical bulletin, 1986, vol. 34, # 5, p. 1888 - 1900

  摘要：

  DOI：
• 作为产物：
  描述：

  (1R,2R)-2-(dibenzylamino)cyclopentanol 在 草酰氯 、 二甲基亚砜 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 以45 %的产率得到2-(dibenzylamino)cyclopentanone
  参考文献：
  名称：

  THIADIAZOLE DERIVATIVES AS INHIBITORS OF CYCLIC GMP-AMP SYNTHASE AND USES THEREOF

  摘要：

  The present disclosure relates to compounds of Formula (I): (I) or a pharmaceutically acceptable salt thereof, wherein Ring A, R1, R2, R3, R4, and m are described herein, methods of preparation, methods of treatment, and pharmaceutical compositions comprising same. The present disclosure further relates to the use of the compounds of Formula (I), and pharmaceutically acceptable salts thereof, in the treatment of cGAS-related diseases and disorders.

  公开号：

  WO2024137607A1

文献信息

• [EN] ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH<br/>[FR] AGENTS ANTIPROLIFÉRATIFS POUR LE TRAITEMENT DE L'HTAP
  申请人：PFIZER

  公开号：WO2020212865A1

  公开（公告）日：2020-10-22

  This invention relates to compounds of general Formula I in which A, R1, R2, R3 and R4 are as defined herein, and the pharmaceutically acceptable salts thereof; to pharmaceutical compositions comprising such compounds and salts; to methods of using such compounds, salts and compositions for treating pulmonary hypertension and related diseases, like pulmonary arterial hypertension; to methods of using such compounds, salts and compositions for treating abnormal cell growth, such as cancer; and to processes to make such compounds, salts and compositions.

  这项发明涉及一般式I中的化合物，其中A、R1、R2、R3和R4如本文所定义，以及其药用可接受的盐；涉及包含这种化合物和盐的药物组合物；涉及使用这种化合物、盐和组合物治疗肺动脉高压和相关疾病，如肺动脉高压；涉及使用这种化合物、盐和组合物治疗异常细胞生长，如癌症；以及制备这种化合物、盐和组合物的方法。
• Synthesis of quaternary α-benzyl- and α-allyl-α-methylamino cyclobutanones
  作者：Lorenza Ghisu、Nicola Melis、Francesco Secci、Pierluigi Caboni、Angelo Frongia

  DOI：10.1016/j.tet.2016.10.024

  日期：2016.12

  important quaternary α-benzyl- and α-allyl-α-methylamino cyclobutanones in good to high yield, via a sequential one-pot methylation/sigmatropic rearrangement, has been accomplished for the first time. The quaternary α-alkyl-α-amino cyclobutanones could be further manipulated, affording synthetically interesting scaffolds such as highly substituted tryptamines and cyclobuta-fused indolines.

  首次完成了通过连续的一锅甲基化/σ重排，以良好至高收率构建合成重要的季铵化α-苄基-和α-烯丙基-α-甲基氨基环丁酮的简单实用方案。季α-烷基-α-氨基环丁酮可以被进一步处理，从而提供合成上令人感兴趣的支架，例如高度取代的色胺和与环丁烯融合的二氢吲哚。
• Anti-proliferative agents for treating PAH
  申请人：Pfizer Inc.

  公开号：US11203594B2

  公开（公告）日：2021-12-21

  This invention relates to compounds of general Formula I in which A, R1, R2, R3 and R4 are as defined herein, and the pharmaceutically acceptable salts thereof; to pharmaceutical compositions comprising such compounds and salts; to methods of using such compounds, salts and compositions for treating pulmonary hypertension and related diseases, like pulmonary arterial hypertension; to methods of using such compounds, salts and compositions for treating abnormal cell growth, such as cancer; and to processes to make such compounds, salts and compositions.

  本发明涉及通式 I 的化合物 其中 A、R1、R2、R3 和 R4 如本文所定义，及其药学上可接受的盐；涉及包含此类化合物和盐的药物组合物；涉及使用此类化合物、盐和组合物治疗肺动脉高压及相关疾病（如肺动脉高压）的方法；涉及使用此类化合物、盐和组合物治疗异常细胞生长（如癌症）的方法；以及涉及制造此类化合物、盐和组合物的工艺。
• SUZUKI TAKAYOSHI; TAKAMOTO MASAYUKI; OKAMOTO TOSHIHIKO; TAKAYAMA HIROAKI, CHEM. AND PHARM. BULL., 34,(1986) N 5, 1888-1900
  作者：SUZUKI TAKAYOSHI、 TAKAMOTO MASAYUKI、 OKAMOTO TOSHIHIKO、 TAKAYAMA HIROAKI

  DOI：——

  日期：——
• TAKAYAMA H.; SUZUKI T.; TAKAMOTO M.; OKAMOTO T., HETEROCYCLES, 1978, 9, NO 10, 1429-1432
  作者：TAKAYAMA H.、 SUZUKI T.、 TAKAMOTO M.、 OKAMOTO T.

  DOI：——

  日期：——