2-(oxetan-3-yl)acetaldehyde | 928758-00-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(oxetan-3-yl)acetaldehyde
• 英文别名: 2-(Oxetan-3-YL)acetaldehyde
• CAS: 928758-00-3
• 化学式: C₅H₈O₂
• 分子量: 100.117
• InChiKey: AIFBKSGZBRGQJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 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：

  2-(oxetan-3-yl)acetaldehyde 在 sodium hydroxide 、 Hydroquinone 1,4-phthalazinediyl diether 、 次氯酸叔丁酯 、 三乙胺 作用下， 生成 3-Benzyloxycarbonylamino-2-hydroxy-4-oxetan-3-yl-butyric acid tert-butyl ester
  参考文献：
  名称：

  Discovery of (1R,5S)-N-[3-Amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]- 3-[2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (SCH 503034), a Selective, Potent, Orally Bioavailable Hepatitis C Virus NS3 Protease Inhibitor:  A Potential Therapeutic Agent for the Treatment of Hepatitis C Infection

  摘要：

  Hepatitis C virus (HCV) infection is the major cause of chronic liver disease, leading to cirrhosis and hepatocellular carcinoma, which affects more than 170 million people worldwide. Currently the only therapeutic regimens are subcutaneous interferon-alpha or polyethylene glycol (PEG)-interferon-alpha alone or in combination with oral ribavirin. Although combination therapy is reasonably successful with the majority of genotypes, its efficacy against the predominant genotype (genotype 1) is moderate at best, with only about 40% of the patients showing sustained virological response. Herein, the SAR leading to the discovery of 70 (SCH 503034), a novel, potent, selective, orally bioavailable NS3 protease inhibitor that has been advanced to clinical trials in human beings for the treatment of hepatitis C viral infections is described. X-ray structure of inhibitor 70 complexed with the NS3 protease and biological data are also discussed.

  DOI：

  10.1021/jm060325b
• 作为产物：
  描述：

  2-(2-(苄氧基)乙基)丙二酸二乙酯 在 lithium aluminium tetrahydride 、 正丁基锂 、 10 wt% Pd(OH)2 on carbon 、 氢气 、 戴斯-马丁氧化剂 作用下， 以 四氢呋喃 、 甲醇 、 正庚烷 、 二氯甲烷 为溶剂， 60.0 ℃ 、344.75 kPa 条件下， 反应 64.5h， 生成 2-(oxetan-3-yl)acetaldehyde
  参考文献：
  名称：

  [EN] NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR
  [FR] NOUVEAUX EFFECTEURS ALLOSTÉRIQUES POSITIFS DU RÉCEPTEUR NICOTINIQUE DE L'ACÉTYLCHOLINE

  摘要：

  本发明涉及在治疗中有用的吲哚衍生物，包括含有所述化合物的组合物，以及治疗疾病的方法，其中包括给予所述化合物。所提到的化合物是尼古丁乙酰胆碱α7受体的正向变构调节剂（PAMs）。

  公开号：

  WO2014049133A1

文献信息

• [EN] 4-SUBSTITUTED PYRANO[3,4,B]PYRAZINE KAPPA AGONISTS FOR TREATING DRUG DEPENDENCY<br/>[FR] AGONISTES PYRANO [3,4,B] PYRAZINE KAPPA 4-SUBSTITUÉS POUR LE TRAITEMENT DE LA PHARMACODÉPENDANCE
  申请人：UNIV ROCKEFELLER

  公开号：WO2020247599A1

  公开（公告）日：2020-12-10

  1-Phenylacetyl-8-aminohexahydro-2H-pyrano[3,4-b]pyrazines of formula I are disclosed. The compounds are kappa ligands and are useful to treat drug dependency.

  公开了化学式I的1-苯乙酰基-8-氨基六氢-2H-吡喃并[3,4-b]吡嗪。这些化合物是kappa配体，可用于治疗药物依赖。
• WO2020006296A5
  申请人：——

  公开号：WO2020006296A5

  公开（公告）日：2022-06-29
• [EN] THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS<br/>[FR] COMPOSÉS THIADIAZOLYLES UTILISÉS COMME INHIBITEURS DE L'ADN POLYMÉRASE THÊTA
  申请人：[en]IDEAYA BIOSCIENCES, INC.

  公开号：WO2023067515A1

  公开（公告）日：2023-04-27

  Disclosed herein are certain thiadiazolyl derivatives Formula (I): (I) that inhibit DNA Polymerase Theta (Polθ) activity, in particular inhibit Polθ activity by inhibiting ATP dependent helicase domain activity of Polθ. Also, disclosed are pharmaceutical compositions comprising such compounds and methods of treating and/or preventing diseases treatable by inhibition of Polθ such as cancer, including homologous recombination (HR) deficient cancers.
• Discovery of (1<i>R</i>,5<i>S</i>)-<i>N</i>-[3-Amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]- 3-[2(<i>S</i>)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(<i>S</i>)-carboxamide (SCH 503034), a Selective, Potent, Orally Bioavailable Hepatitis C Virus NS3 Protease Inhibitor:  A Potential Therapeutic Agent for the Treatment of Hepatitis C Infection
  作者：Srikanth Venkatraman、Stéphane L. Bogen、Ashok Arasappan、Frank Bennett、Kevin Chen、Edwin Jao、Yi-Tsung Liu、Raymond Lovey、Siska Hendrata、Yuhua Huang、Weidong Pan、Tejal Parekh、Patrick Pinto、Veljko Popov、Russel Pike、Sumei Ruan、Bama Santhanam、Bancha Vibulbhan、Wanli Wu、Weiying Yang、Jianshe Kong、Xiang Liang、Jesse Wong、Rong Liu、Nancy Butkiewicz、Robert Chase、Andrea Hart、Sony Agrawal、Paul Ingravallo、John Pichardo、Rong Kong、Bahige Baroudy、Bruce Malcolm、Zhuyan Guo、Andrew Prongay、Vincent Madison、Lisa Broske、Xiaoming Cui、Kuo-Chi Cheng、Yunsheng Hsieh、Jean-Marc Brisson、Danial Prelusky、Walter Korfmacher、Ronald White、Susan Bogdanowich-Knipp、Anastasia Pavlovsky、Prudence Bradley、Anil K. Saksena、Ashit Ganguly、John Piwinski、Viyyoor Girijavallabhan、F. George Njoroge

  DOI：10.1021/jm060325b

  日期：2006.10.1

  Hepatitis C virus (HCV) infection is the major cause of chronic liver disease, leading to cirrhosis and hepatocellular carcinoma, which affects more than 170 million people worldwide. Currently the only therapeutic regimens are subcutaneous interferon-alpha or polyethylene glycol (PEG)-interferon-alpha alone or in combination with oral ribavirin. Although combination therapy is reasonably successful with the majority of genotypes, its efficacy against the predominant genotype (genotype 1) is moderate at best, with only about 40% of the patients showing sustained virological response. Herein, the SAR leading to the discovery of 70 (SCH 503034), a novel, potent, selective, orally bioavailable NS3 protease inhibitor that has been advanced to clinical trials in human beings for the treatment of hepatitis C viral infections is described. X-ray structure of inhibitor 70 complexed with the NS3 protease and biological data are also discussed.
• [EN] NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR<br/>[FR] NOUVEAUX EFFECTEURS ALLOSTÉRIQUES POSITIFS DU RÉCEPTEUR NICOTINIQUE DE L'ACÉTYLCHOLINE
  申请人：LUNDBECK & CO AS H

  公开号：WO2014049133A1

  公开（公告）日：2014-04-03

  The present invention relates to indole derivatives useful in therapy, to compositions comprising said compounds, and to methods of treating diseases comprising administration of said com- pounds. The compounds referred to are positive allosteric modulators (PAMs) of the nicotinic acetylcholine α7 receptor.

  本发明涉及在治疗中有用的吲哚衍生物，包括含有所述化合物的组合物，以及治疗疾病的方法，其中包括给予所述化合物。所提到的化合物是尼古丁乙酰胆碱α7受体的正向变构调节剂（PAMs）。