7-iodochroman-2-one | 1206905-49-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 3,4-二氢香豆素
• 英文名称: 7-iodochroman-2-one
• 英文别名: 7-iodo-3,4-dihydrocoumarin；7-iodo-3,4-dihydrochromen-2-one
• CAS: 1206905-49-8
• 化学式: C₉H₇IO₂
• 分子量: 274.058
• InChiKey: QXUITJUHAMRSPJ-UHFFFAOYSA-N

物化性质

• 熔点：
  120-125 °C
• 沸点：
  338.9±31.0 °C(Predicted)
• 密度：
  1.878±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-iodochroman-2-one 在 水 、 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 3-(2-hydroxy-4-iodophenyl)propanoic acid
  参考文献：
  名称：

  SOLUBLE GUANYLATE CYCLASE STIMULATORS

  摘要：

  该发明提供了Formula (I)的化合物或其药用盐，其中X、Y、Z、R1、R2、R4、Ra以及下标m、p和q如本文所述。这些化合物或其药用盐可以调节人体对环鸟苷酸单磷酸（“cGMP”）的产生，并通常适用于治疗和预防与扰乱的cGMP平衡相关的疾病。该发明还提供了包含Formula (I)的化合物或其药用盐的药物组合物。该发明还涉及使用这些化合物或其药用盐在治疗和预防上述疾病以及为此目的制备药物的方法。

  公开号：

  US20170174693A1
• 作为产物：
  描述：

  3-(4-碘苯基)丙酸 在 三氟化硼乙醚 、 三氟乙酸 、 [双(三氟乙酰氧基)碘]苯 作用下， 反应 16.0h， 生成 7-iodochroman-2-one
  参考文献：
  名称：

  SOLUBLE GUANYLATE CYCLASE STIMULATORS

  摘要：

  该发明提供了Formula (I)的化合物或其药用盐，其中X、Y、Z、R1、R2、R4、Ra以及下标m、p和q如本文所述。这些化合物或其药用盐可以调节人体对环鸟苷酸单磷酸（“cGMP”）的产生，并通常适用于治疗和预防与扰乱的cGMP平衡相关的疾病。该发明还提供了包含Formula (I)的化合物或其药用盐的药物组合物。该发明还涉及使用这些化合物或其药用盐在治疗和预防上述疾病以及为此目的制备药物的方法。

  公开号：

  US20170174693A1

文献信息

• Soluble guanylate cyclase stimulators
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US10030027B2

  公开（公告）日：2018-07-24

  The invention provides compounds of the Formula (I) or a pharmaceutically acceptable salts thereof, wherein X, Y, Z, R1, R2, R4, Ra, and the subscripts m, p, and q are as described herein. The compounds or their pharmaceutically acceptable salts can modulate the body's production of cyclic guanosine monophosphate (“cGMP”), and are generally suitable for the therapy and prophylaxis of diseases which are associated with a disturbed cGMP balance. The invention also provides pharmaceutical compositions which comprise compounds of Formula (I) or pharmaceutically acceptable salts thereof. The invention also relates to methods for use of the compounds or their pharmaceutically acceptable salts in the therapy and prophylaxis of the abovementioned diseases and for preparing pharmaceuticals for this purpose.

  本发明提供了式（I）化合物 或其药学上可接受的盐，其中 X、Y、Z、R1、R2、R4、Ra 和下标 m、p 和 q 如本文所述。这些化合物或其药学上可接受的盐类可以调节人体产生的环磷酸鸟苷（"cGMP"），通常适用于治疗和预防与 cGMP 平衡紊乱有关的疾病。本发明还提供了包含式（I）化合物或其药学上可接受的盐的药物组合物。本发明还涉及将这些化合物或其药学上可接受的盐用于治疗和预防上述疾病的方法，以及为此目的制备药物的方法。
• Direct oxidative cyclization of 3-arylpropionic acids using PIFA or Oxone: synthesis of 3,4-dihydrocoumarins
  作者：Yonghong Gu、Kun Xue

  DOI：10.1016/j.tetlet.2009.10.112

  日期：2010.1

  The direct oxidative cyclization of 3-arylpropionic acids using PIFA or Oxone is reported. In the presence of BF(3)center dot OEt(2), the reaction of 3-arylpropionic acids with PIFA or Oxone proceeded smoothly at 30 degrees C to give 3,4-dihydrocoumarins in good to excellent yields. (C) 2009 Elsevier Ltd. All rights reserved.
• 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP3394067A1

  公开（公告）日：2018-10-31
• [EN] SOLUBLE GUANYLATE CYCLASE STIMULATORS<br/>[FR] ACTIVATEURS SOLUBLES DE GUANYLATE CYCLASE
  申请人：MERCK SHARP & DOHME

  公开号：WO2017107052A1

  公开（公告）日：2017-06-29

  The invention provides compounds of the Formula (I) or a pharmaceutically acceptable salts thereof, wherein X, Y, Z, R1, R2, R4, Ra, and the subscripts m, p, and q are as described herein. The compounds or their pharmaceutically acceptable salts can modulate the body's production of cyclic guanosine monophosphate ("cGMP"), and are generally suitable for the therapy and prophylaxis of diseases which are associated with a disturbed cGMP balance. The invention also provides pharmaceutical compositions which comprise compounds of Formula (I) or pharmaceutically acceptable salts thereof. The invention also relates to methods for use of the compounds or their pharmaceutically acceptable salts in the therapy and prophylaxis of the abovementioned diseases and for preparing pharmaceuticals for this purpose.
• [EN] 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES<br/>[FR] DÉRIVÉS DE 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE ET DÉRIVÉS RESPECTIFS DE (1H-INDAZOL-3-YL) EN TANT QUE MODULATEURS CGMP POUR LE TRAITEMENT DE MALADIES CARDIOVASCULAIRES
  申请人：MERCK SHARP & DOHME

  公开号：WO2017112617A1

  公开（公告）日：2017-06-29

  The invention provides compounds of the Formula (I) or a pharmaceutically acceptable salts thereof, wherein X, Y, Z, R1, R2, R4, Ra, and the subscripts m, p, and q are as described herein. The compounds or their pharmaceutically acceptable salts can modulate the body's production of cyclic guanosine monophosphate ("cGMP"), and are generally suitable for the therapy and prophylaxis of diseases which are associated with a disturbed cGMP balance, such as cardiovascular disease, endothelial dysfunction, diastolic dysfunction, atherosclerosis, hypertension, heart failure, pulmonary hypertension (WHO groups I, II, III, IV), angina pectoris, thrombosis, restenosis, myocardial infarction, stroke, cardiac insufficiency, fibrosis, pulmonary hypertonia, erectile dysfunction, asthma, acute respiratory distress syndrome (ARDS), chronic kidney disease, cystic fibrosis, sickle cell anemia, scleroderma, Raynaud's Syndrome, diabetes, diabetic retinopathy, cirrhosis of the liver, chronic obstructive pulmonary disease (COPD), acute lung injury, pulmonary fibrosis or interstitial lung disease. The invention also provides pharmaceutical compositions which comprise compounds of Formula (I) or pharmaceutically acceptable salts thereof. The invention also relates to the compounds or their pharmaceutically acceptable salts for use in the therapy and prophylaxis of the abovementioned diseases and for preparing pharmaceuticals for this purpose.