(S)-4-苄基-3-甲基吗啉 | 120800-91-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (S)-4-苄基-3-甲基吗啉
• 英文名称: (R)-4-benzyl-3-methylmorpholine
• 英文别名: (3S)-3-methyl-4-(phenylmethyl)morpholine；3S-N-Benzyl-3-methylmorpholine；(S)-4-Benzyl-3-methylmorpholine；(3S)-4-benzyl-3-methylmorpholine
• CAS: 120800-91-1
• 化学式: C₁₂H₁₇NO
• 分子量: 191.273
• InChiKey: GXNBKAFYCHTQPI-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  (S)-4-苄基-3-甲基吗啉 生成 (S)-3-甲基吗啉
  参考文献：
  名称：

  Arylsulfonic acid salts of pyrimidine-based antiviral

  摘要：

  提供了具有以下公式的嘧啶衍生物盐：其中R代表氢、甲基或乙基；Z代表取代或未取代的1-哌啶基、取代或未取代的4-吗啉基或取代或未取代的1-吡咯烷基；Ar代表取代或未取代的苯基或取代或未取代的萘基。这些盐在抗病毒剂（例如用于治疗巨细胞病毒感染）中特别有用。

  公开号：

  US06410726B1
• 作为产物：
  描述：

  (2S)-2-(benzylideneamino)propan-1-ol 在 sodium tetrahydroborate 、 potassium carbonate 、 红铝 作用下， 以 四氢呋喃 、 乙醇 、 水 、 甲苯 为溶剂， 反应 1.0h， 生成 (S)-4-苄基-3-甲基吗啉
  参考文献：
  名称：

  Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors

  摘要：

  Phosphoinositide-dependent protein kinase-1 (PDK1) is a master regulator of the AGC family of kinases and an integral component of the PI3K/AKT/mTOR pathway. As this pathway is among the most commonly deregulated across all cancers, a selective inhibitor of PDKI might have utility as an anticancer agent. Herein we describe our lead optimization of compound 1 toward highly potent and selective PDKI inhibitors via a structure-based design strategy. The most potent and selective inhibitors demonstrated submicromolar activity as measured by inhibition of phosphorylation of PDK1 substrates as well as antiproliferative activity against a subset of AML cell lines. In addition, reduction of phosphorylation of PDK1 substrates was demonstrated in vivo in mice bearing OC1-AML2 xenografts. These observations demonstrate the utility of these molecules as tools to further delineate the biology of PDKI and the potential pharmacological uses of a PDK1 inhibitor.

  DOI：

  10.1021/jm101527u

文献信息

• [EN] PEPTIDE DEFORMYLASE INHIBITORS<br/>[FR] INHIBITEURS DE LA PEPTIDE DÉFORMYLASE
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2009061879A1

  公开（公告）日：2009-05-14

  The present invention is directed to certain 2-(alkyl)-3-[2-(5-fluoro-4-pyrimidinyl)hydrazino]-3-oxopropyl}hydroxyformamide derivatives, compositions containing them, the use of such compounds in the inhibition of bacterial peptide deformylase (PDF) activity, and in the treatment of bacterial infections. Specifically, the invention is directed to compounds of formula (I), wherein R1, R2 and R3 are defined herein and to pharmaceutically acceptable salts thereof. The compounds of this invention are bacterial peptide deformylase inhibitors and can be useful in the treatment of bacterial infections.

  本发明涉及某些2-(烷基)-3-[2-(5-氟-4-嘧啶基)肼基]-3-氧代丙基}羟甲酰胺衍生物，含有它们的组合物，以及这些化合物在抑制细菌肽变形酶（PDF）活性和治疗细菌感染中的用途。具体而言，该发明涉及式（I）的化合物，其中R1、R2和R3在此有定义，并且其药用盐。本发明的这些化合物是细菌肽变形酶抑制剂，可用于治疗细菌感染。
• Methods of using pyrimidine-based antiviral agents
  申请人：Tularik Inc.

  公开号：US20030130264A1

  公开（公告）日：2003-07-10

  The invention provides novel methods of using substituted pyrimidine compounds and compositions for the treatment or prevention of diseases associated with CMV infection. In particular, the present invention provides methods for the treatment or prevention of cardiovascular diseases and organ transplant rejection.

  该发明提供了使用取代嘧啶化合物和组合物治疗或预防与CMV感染相关疾病的新方法。具体来说，本发明提供了治疗或预防心血管疾病和器官移植排斥的方法。
• [EN] ARYLSULFONIC ACID SALTS OF PYRIMIDINE-BASED ANTIVIRAL AGENTS<br/>[FR] SELS D'ACIDE ARYLSULFONIQUE ET AGENTS ANTIVIRAUX A BASE DE PYRIMIDINE
  申请人：TULARIK INC

  公开号：WO2001051485A1

  公开（公告）日：2001-07-19

  Salts of pyrimidine derivatives are provided having formula (I), wherein R represents hydrogen, methyl or ethyl; Z represents a substituted or unsubstituted 1-piperidinyl, a substituted or unsubstituted 4-morpholinyl, or a substituted or unsubstituted 1-pyrrolidinyl; and Ar represents a substituted or unsubstituted phenyl or a substituted or unsubstituted naphthyl. These salts are particularly useful as antiviral agents (e.g., to treat CMV infections).

  提供式（I）的嘧啶衍生物盐，其中R代表氢、甲基或乙基；Z代表取代或未取代的1-哌啶基、取代或未取代的4-吗啉基或取代或未取代的1-吡咯烷基；Ar代表取代或未取代的苯基或取代或未取代的萘基。这些盐特别适用于抗病毒剂（例如，治疗巨细胞病毒感染）。
• PEPTIDE DEFORMYLASE INHIBITORS
  申请人：Qin Donghui

  公开号：US20090306066A1

  公开（公告）日：2009-12-10

  The present invention is directed to certain 2-(alkyl)-3-[2-(5-fluoro-4-pyrimidinyl)hydrazino]-3-oxopropyl}hydroxyformamide derivatives, compositions containing them, the use of such compounds in the inhibition of bacterial peptide deformylase (PDF) activity, and in the treatment of bacterial infections. Specifically, the invention is directed to compounds of formula (I): wherein R1, R2 and R3 are defined herein and to pharmaceutically acceptable salts thereof. The compounds of this invention are bacterial peptide deformylase inhibitors and can be useful in the treatment of bacterial infections.

  本发明涉及某些2-(烷基)-3-[2-(5-氟-4-嘧啶基)肼基]-3-氧代丙基}羟基甲酰胺衍生物，包含它们的组合物，这些化合物在抑制细菌肽变形酶（PDF）活性和治疗细菌感染方面的使用。具体而言，本发明涉及式（I）的化合物：其中R1，R2和R3在此定义，并且其药学上可接受的盐。本发明的化合物是细菌肽变形酶抑制剂，可用于治疗细菌感染。
• Peptide deformylase inhibitors
  申请人：GlaxoSmithKline LLC

  公开号：US07893056B2

  公开（公告）日：2011-02-22

  The present invention is directed to certain 2-(alkyl)-3-[2-(5-fluoro-4-pyrimidinyl)hydrazino]-3-oxopropyl}hydroxyformamide derivatives, compositions containing them, the use of such compounds in the inhibition of bacterial peptide deformylase (PDF) activity, and in the treatment of bacterial infections. Specifically, the invention is directed to compounds of formula (I): wherein R1, R2 and R3 are defined herein and to pharmaceutically acceptable salts thereof. The compounds of this invention are bacterial peptide deformylase inhibitors and can be useful in the treatment of bacterial infections.

  本发明涉及某些2-(烷基)-3-[2-(5-氟-4-嘧啶基)肼基]-3-氧代丙基}羟基甲酰胺衍生物，含有它们的组合物，以及在抑制细菌肽变形酶（PDF）活性和治疗细菌感染方面使用这种化合物。具体而言，本发明涉及式（I）的化合物：其中R1、R2和R3在此定义，并且其药学上可接受的盐。本发明的化合物是细菌肽变形酶抑制剂，可用于治疗细菌感染。