1-(4-iodo-phenyl)-cyclopropanecarbaldehyde | 630383-65-2

• 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: 1-(4-iodo-phenyl)-cyclopropanecarbaldehyde
• 英文别名: 1-(4-Iodophenyl)cyclopropanecarbaldehyde；1-(4-iodophenyl)cyclopropane-1-carbaldehyde
• CAS: 630383-65-2
• 化学式: C₁₀H₉IO
• 分子量: 272.085
• InChiKey: ZCCFAKUBMIHVST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(4-iodo-phenyl)-cyclopropanecarbaldehyde 在 palladium diacetate 1,1'-双(二苯基膦)二茂铁 、 水 、 potassium acetate 、 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.83h， 生成 3-chloro-N-((1R,2S)-2-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)benzamido)cyclohexyl)-1H-indole-6-carboxamide
  参考文献：
  名称：

  SAR and X-ray structures of enantiopure 1,2-cis-(1R,2S)-cyclopentyldiamine and cyclohexyldiamine derivatives as inhibitors of coagulation Factor Xa

  摘要：

  In the search of Factor Xa (FXa) inhibitors structurally different from the pyrazole-based series, we identified a viable series of enantiopure cis-(1R,2S)-cycloalkyldiamine derivatives as potent and selective inhibitors of FXa. Among them, cyclohexyldiamide 7 and cyclopentyldiamide 9 were the most potent neutral compounds, and had good anticoagulant activity comparable to the pyrazole-based analogs. Crystal structures of 7-FXa and 9-FXa illustrate binding similarities and differences between the five-and the six-membered core systems, and provide rationales for the observed SAR of PI and linker moieties. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.029
• 作为产物：
  描述：

  (1-(4-iodophenyl)cyclopropyl)methanol 在 molecular sieve 、 sodium acetate 、 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 1-(4-iodo-phenyl)-cyclopropanecarbaldehyde
  参考文献：
  名称：

  [EN] 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS
  [FR] DERIVES CYCLOALKYLES 1,1-DISUBSTITUES UTILISES EN TANT QU'INHIBITEURS DU FACTEUR XA

  摘要：

  本申请描述了1,1-二取代环烷基化合物及其衍生物，或其药用可接受的盐形式，这些化合物对于Xa因子的抑制剂具有用处。

  公开号：

  WO2003099276A1

文献信息

• [EN] TRICYCLIC PYRAZOL AMINE DERIVATIVES<br/>[FR] DÉRIVÉS TRICYCLIQUES DE PYRAZOLAMINE
  申请人：MERCK SERONO SA

  公开号：WO2011058149A1

  公开（公告）日：2011-05-19

  This invention relates to compounds of Formula (I*) as Pi3k inhibitors for treating autoimmune diseases, inflammatory disorders, multiple sclerosis and other diseases like cancers.

  这项发明涉及到 Formula (I*) 的化合物作为 Pi3k 抑制剂，用于治疗自身免疫疾病、炎症性疾病、多发性硬化等疾病，以及癌症等其他疾病。
• OXAZOLINE DERIVATIVES
  申请人：Galley Guido

  公开号：US20110112080A1

  公开（公告）日：2011-05-12

  The invention relates to compounds of formula I wherein the definitions of X, R and R 1 are as defined herein. The compounds of formula I have a good affinity to the trace amine associated receptors (TAARs), especially for TAAR1. The compounds can be used for the treatment of depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder (ADHD), stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders such as Alzheimer's disease, epilepsy, migraine, hypertension, substance abuse and metabolic disorders such as eating disorders, diabetes, diabetic complications, obesity, dyslipidemia, disorders of energy consumption and assimilation, disorders and malfunction of body temperature homeostasis, disorders of sleep and circadian rhythm, and cardiovascular disorders.

  该发明涉及公式I中的化合物，其中X、R和R1的定义如本文所述。公式I中的化合物对痕量胺相关受体（TAARs）有良好的亲和力，特别是对TAAR1。这些化合物可用于治疗抑郁症、焦虑障碍、躁郁症、注意力缺陷多动障碍（ADHD）、与压力相关的障碍、精神分裂症等精神障碍、帕金森病等神经疾病、阿尔茨海默病等神经退行性疾病、癫痫、偏头痛、高血压、物质滥用和代谢性障碍，如进食障碍、糖尿病、糖尿病并发症、肥胖、血脂异常、能量消耗和吸收障碍、体温稳态障碍、睡眠和昼夜节律障碍以及心血管疾病。
• 1,1-Disubstituted cycloalkyl derivatives as factor Xa inhibitors
  申请人：——

  公开号：US20040254158A1

  公开（公告）日：2004-12-16

  The present application describes 1,1-disubstituted cycloalkyl compounds and derivatives thereof, or pharmaceutically acceptable salt forms thereof, which are useful as inhibitors of factor Xa.

  本申请描述了1,1-二取代环烷基化合物及其衍生物，或其药学上可接受的盐形式，这些化合物可用作因子Xa的抑制剂。
• 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US07312214B2

  公开（公告）日：2007-12-25

  The present application describes 1,1-disubstituted cycloalkyl compounds and derivatives thereof, or pharmaceutically acceptable salt forms thereof, which are useful as inhibitors of factor Xa.

  本申请描述了1,1-二取代环烷基化合物及其衍生物或其药学上可接受的盐形式，它们可用作凝血因子Xa的抑制剂。
• Oxazoline derivatives
  申请人：Galley Guido

  公开号：US08354441B2

  公开（公告）日：2013-01-15

  The invention relates to compounds of formula I wherein the definitions of X, R and R1 are as defined herein. The compounds of formula I have a good affinity to the trace amine associated receptors (TAARs), especially for TAAR1. The compounds can be used for the treatment of depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder (ADHD), stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders such as Alzheimer's disease, epilepsy, migraine, hypertension, substance abuse and metabolic disorders such as eating disorders, diabetes, diabetic complications, obesity, dyslipidemia, disorders of energy consumption and assimilation, disorders and malfunction of body temperature homeostasis, disorders of sleep and circadian rhythm, and cardiovascular disorders.

  本发明涉及公式I的化合物，其中X、R和R1的定义如本文所述。公式I的化合物对微量胺相关受体（TAARs），特别是TAAR1具有良好的亲和力。这些化合物可用于治疗抑郁症、焦虑症、双相情感障碍、注意力缺陷多动障碍（ADHD）、与压力相关的疾病、精神疾病（如精神分裂症）、神经疾病（如帕金森病）、神经退行性疾病（如阿尔茨海默病）、癫痫、偏头痛、高血压、物质滥用和代谢性疾病（如进食障碍、糖尿病、糖尿病并发症、肥胖症、血脂异常、能量消耗和同化障碍、体温稳态障碍、睡眠和昼夜节律障碍以及心血管疾病）的治疗。