2-羟基-1-(噻吩-3-基)乙基氨基甲酸叔丁酯 | 1206786-18-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 中文名称: 2-羟基-1-(噻吩-3-基)乙基氨基甲酸叔丁酯
• 英文名称: tert-butyl 2-hydroxy-1-(thiophen-3-yl)ethylcarbamate
• 英文别名: tert-butyl N-(2-hydroxy-1-thiophen-3-ylethyl)carbamate
• CAS: 1206786-18-6
• 化学式: C₁₁H₁₇NO₃S
• 分子量: 243.327
• InChiKey: QOUNJPSKRHWSBR-UHFFFAOYSA-N

物化性质

• 沸点：
  398.7±37.0 °C(Predicted)
• 密度：
  1.187±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  86.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-羟基-1-(噻吩-3-基)乙基氨基甲酸叔丁酯 在 4-二甲氨基吡啶 、 水 、 三乙胺 、 sodium hydroxide 作用下， 以 乙醇 、 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 9.0h， 生成 3-(叔丁氧基羰基氨基)-3-(噻吩-3-基)丙酸
  参考文献：
  名称：

  [EN] AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS
  [FR] COMPOSÉS D'AMIDE D'AMINO-BENZOISOTHIAZOLE ET D'AMINO-BENZOISOTHIADIAZOLE

  摘要：

  本文提供了氨基苯并异噻唑和苯并异噻二唑酰胺化合物。具体来说，本文提供了影响细胞激酶功能并可用作治疗剂或与治疗剂一起使用的化合物。本文提供的化合物在治疗各种疾病和病况方面具有用途，包括眼部疾病如青光眼，视网膜疾病如急性黄斑变性（AMD）和糖尿病黄斑水肿（DME），以及以炎症过程为特征的疾病和病况、心血管疾病，以及以异常生长为特征的疾病，如癌症。还提供了含有本文提供的化合物的组合物（例如，制药组合物）。

  公开号：

  WO2019178324A1
• 作为产物：
  描述：

  DL-Alpha-(3-噻吩基)甘氨酸 在 硼烷四氢呋喃络合物 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 2-羟基-1-(噻吩-3-基)乙基氨基甲酸叔丁酯
  参考文献：
  名称：

  Design of Substituted Imidazolidinylpiperidinylbenzoic Acids as Chemokine Receptor 5 Antagonists: Potent Inhibitors of R5 HIV-1 Replication

  摘要：

  The redesign of the previously reported thiophene-3-yl-methyl urea series, as a result of potential cardiotoxicity, was successfully accomplished, resulting in the identification of a novel potent series of CCR5 antagonists containing the imidazolidinylpiperidinyl scaffold. The main redesign criteria were to reduce the number of rotatable bonds and to maintain an acceptable lipophilicity to mitigate hERG inhibition. The structure activity relationship (SAR) that was developed was used to identify compounds with the best pharmacological profile to inhibit HIV-1. As a result, five advanced compounds, 6d, 6e, 6i, 6h, and 6k, were further evaluated for receptor selectivity, antiviral activity against CCR5 using (RS) HIV-1 clinical isolates, and in vitro and in vivo safety. On the basis of these results, 6d and 6h were selected for further development.

  DOI：

  10.1021/jm401101p

文献信息

• BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS
  申请人：deLong Mitchell A.

  公开号：US20100022585A1

  公开（公告）日：2010-01-28

  Disclosed are beta and gamma-amino isoquinoline amide compounds and substituted benzamide compounds. In particular, the invention provides compounds that affect the function of kinases in a cell and that are useful as therapeutic agents or with therapeutic agents. The compounds of the invention are useful in the treatment of a variety of diseases and conditions including eye diseases such as glaucoma, cardiovascular diseases, and diseases characterized by abnormal growth, such as cancers. The invention further provides compositions containing the beta or gamma-amino isoquinoline amide compounds or substituted benzamide compounds.

  本发明涉及β和γ-氨基异喹啉酰胺化合物和取代苯甲酰胺化合物。具体而言，本发明提供了影响细胞中激酶功能的化合物，这些化合物可用作治疗剂或与治疗剂一起使用。本发明的化合物可用于治疗多种疾病和状况，包括眼部疾病如青光眼、心血管疾病以及由异常生长特征的疾病，如癌症。本发明还提供含有β或γ-氨基异喹啉酰胺化合物或取代苯甲酰胺化合物的组合物。
• Compounds for inhibiting KSP kinesin activity
  申请人：Tagat R. Jayaram

  公开号：US20060247320A1

  公开（公告）日：2006-11-02

  The present invention provides compounds of Formula I (wherein R 1 , R 3 , X, W, Z and ring Y are as defined herein). The present invention also provides compositions comprising these compounds that are useful for treating cellular proliferative diseases or disorders associated with KSP kinesin activity and for inhibiting KSP kinesin activity.

  本发明提供了I式化合物（其中R1、R3、X、W、Z和环Y的定义如本文所述）。本发明还提供了包含这些化合物的组合物，用于治疗与KSP肌动蛋白活性相关的细胞增殖性疾病或紊乱，并抑制KSP肌动蛋白活性。
• Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds
  申请人：deLong Mitchell A.

  公开号：US08450344B2

  公开（公告）日：2013-05-28

  Disclosed are beta and gamma-amino isoquinoline amide compounds and substituted benzamide compounds. In particular, the invention provides compounds that affect the function of kinases in a cell and that are useful as therapeutic agents or with therapeutic agents. The compounds of the invention are useful in the treatment of a variety of diseases and conditions including eye diseases such as glaucoma, cardiovascular diseases, and diseases characterized by abnormal growth, such as cancers. The invention further provides compositions containing the beta or gamma-amino isoquinoline amide compounds or substituted benzamide compounds.

  本发明涉及β和γ-氨基异喹啉酰胺化合物和取代苯甲酰胺化合物。特别地，本发明提供了影响细胞中激酶功能的化合物，并且这些化合物可用作治疗剂或与治疗剂一起使用。本发明的化合物可用于治疗多种疾病和病况，包括眼部疾病，如青光眼，心血管疾病以及由异常生长特征的疾病，例如癌症。本发明还提供了含有β或γ-氨基异喹啉酰胺化合物或取代苯甲酰胺化合物的组合物。
• FUSED THIENO[2,3-B]PYRIDINE AND THIAZOLO[5,4-B]PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY
  申请人：Schering Corporation

  公开号：EP1871776A2

  公开（公告）日：2008-01-02
• BETA-AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS
  申请人：Aerie Pharmaceuticals, Inc.

  公开号：EP2326623B1

  公开（公告）日：2014-04-16