(S)-2-氨基-1-吗啉-4-基-丙烷-1-酮 | 359821-48-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: (S)-2-氨基-1-吗啉-4-基-丙烷-1-酮
• 英文名称: (S)-2-Amino-1-morpholin-4-yl-propan-1-one
• 英文别名: (2s)-2-Amino-1-(morpholin-4-yl)propan-1-one；(2S)-2-amino-1-morpholin-4-ylpropan-1-one
• CAS: 359821-48-0
• 化学式: C₇H₁₄N₂O₂
• 分子量: 158.2
• InChiKey: SLVJYKCZTXDMFR-LURJTMIESA-N

物化性质

• 沸点：
  305.2±37.0 °C(Predicted)
• 密度：
  1.127±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  55.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (S)-2-氨基-1-吗啉-4-基-丙烷-1-酮 在 乙酸铵 、 sodium hydroxide 作用下， 以 水 、 甲苯 为溶剂， 反应 15.0h， 生成
  参考文献：
  名称：

  Development of selective inhibitors for anti-apoptotic Bcl-2 proteins from BHI-1

  摘要：

  A series of inhibitors for anti-apoptotic Bcl-2 proteins based on BHI-1 were synthesized and their binding interactions with Bcl-2. Bcl-X-L, and Bcl-w were evaluated. It was found that modification of BHI-1 resulted in varied binding profiles among Bcl-2, Bcl-XL, and Bcl-w, and a set of inhibitors with varied selectivity to Bcl-2, Bcl-X-L, and Bcl-w proteins have been identified. Molecular modeling of the interaction of the BHI-1 based analogues with the anti-apoptotic Bcl-2 proteins suggested that the binding site for the BHI-1 based inhibitor was the least conserved section among Bcl-2, Bcl-X-L, and Bcl-w: targeting the non-conserved section may account for the observed selectivity of the BHI-1 based inhibitors among the anti-apoptotic Bcl-2 proteins. The validity of the model was supported by a strong correlation between the model-calculated binding energy and the experimental binding affinity. In summary, our studies suggest that most of the reported inhibitors for anti-apoptotic Bcl-2 proteins are nonselective and BHI-1 is a promising template to distinguish among Bcl-2, Bcl-X-L, and Bcl-w by targeting the non-conserved domain among the anti-apoptotic Bcl-2 proteins. Molecular-modeling-aided rational development of BHI-1 based selective inhibitor for antiapoptotic Bcl-2 proteins is underway. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2006.12.020
• 作为产物：
  描述：

  tert-butyl (S)-(1-morpholino-1-oxopropan-2-yl)carbamate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 (S)-2-氨基-1-吗啉-4-基-丙烷-1-酮
  参考文献：
  名称：

  简单的高度模块化的无环胺催化的酮直接向硝基烯烃对映选择性加成。

  摘要：

  简单，高度模块化的伯氨基酸衍生物可催化具有高立体控制性的酮直接对映选择性加成至硝基烯烃，并以高产率提供相应的羟醛产物，其产率最高> 38 1 dr，最高ee可达99％。

  DOI：

  10.1039/b514783m

文献信息

• THIAZOLYL-DIHYDRO-INDAZOLE
  申请人：Maier Udo

  公开号：US20070259855A1

  公开（公告）日：2007-11-08

  Disclosed are compounds of general formula (I), wherein the groups R 1 , R 2 , R a and R b have the meanings given in the claims and specification, the tautomers, racemates, enantiomers, diastereomers and the mixtures thereof, and optionally the pharmacologically acceptable acid addition salts, solvates and hydrates thereof, and processes for preparing these thiazolyl-dihydro-indazoles and the use thereof as pharmaceutical compositions.

  揭示了一般式(I)的化合物， 其中基团R1、R2、Ra和Rb具有权利要求和说明中给定的含义，其互变异构体、消旋体、对映体、非对映异构体及其混合物，以及可选择的药理学上可接受的酸加盐、溶剂化合物和水合物，以及制备这些噻唑基二氢吲唑烷并将其用作药物组合物的方法。
• NEUROTROPHIN MIMETICS AND USES THEREOF
  申请人：Longo Frank M.

  公开号：US20110230479A1

  公开（公告）日：2011-09-22

  The present application is related to compounds which are novel neurotrophin mimetics. The application also discloses the treatment of disorders associated with p75 expression, such as degradation or dysfunction of cells expressing p75 in a mammal by administering an effective amount of such compounds.

  本申请涉及一种新型神经营养因子类似物化合物。该申请还公开了通过给哺乳动物施用有效量的这种化合物来治疗与p75表达相关的疾病，例如p75表达细胞的降解或功能障碍。
• [EN] SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS<br/>[FR] (INDOLE-2-CARBONYL-)-GLYCINAMIDES SUBSTITUES EN N ET LEURS DERIVES, SERVANT D'INHIBITEURS DE LA GLYCOGENE PHOSPHORYLASE
  申请人：PFIZER, INC.

  公开号：WO1996039384A1

  公开（公告）日：1996-12-12

  (EN) Compounds of Formula (1) wherein R6 is carboxy, (C1-C8)alkoxycarbonyl, benzyloxycarbonyl, C(O)NR8R9 or C(O)R12 as glucogen phosphorylase inhibitors, pharmaceutical compositions containing such inhibitors and the use of such inhibitors to treat diabetes, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemia, hyperlipidemia, atherosclerosis and myocardial ischemia in mammals.(FR) L'invention concerne des composés de formule (1) où R6 représente carboxy, alcoxycarbonyle (C1-C8), benzyloxycarbonyle, C(O)NR8R9 ou C(O)R12, servant d'inhibiteurs de la glycogène phosphorylase, ainsi que des compositions pharmaceutiques contenant ces inhibiteurs. L'invention concerne également l'utilisation de ces inhibiteurs pour le traitement du diabète, de l'hyperglycémie, de l'hypercholestérolémie, de l'hypertension, de l'hyperinsulinémie, de l'hyperlipidémie, de l'athérosclérose et de l'ischème myocardiaque chez les mammifères.

  化合物的化学式为(1)，其中R6代表羧基、(C1-C8)烷氧羰基、苄氧羰基、C(O)NR8R9或C(O)R12，作为糖原磷酸化酶抑制剂，含有这种抑制剂的制药组合物以及使用这种抑制剂治疗哺乳动物的糖尿病、高血糖、高胆固醇血症、高血压、高胰岛素血症、高脂血症、动脉粥样硬化和心肌缺血的方法。
• DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES
  申请人：Damodara Gopal

  公开号：US20120322799A1

  公开（公告）日：2012-12-20

  The present application is related to deuterated compounds which are novel neurotrophin mimetics. The application also discloses the treatment of disorders involving degradation or dysfunction of cells expressing p75 in a mammal by administering an effective amount of such deuterated compounds.

  本申请涉及新型神经营养因子类似物的氘代化合物。该申请还披露了通过给哺乳动物施加足够剂量的这些氘代化合物来治疗涉及表达p75的细胞降解或功能障碍的疾病。
• COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20130190289A1

  公开（公告）日：2013-07-25

  A compound is represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof, wherein the variables of Structural Formula (I) are as described in the specification and the claims. A pharmaceutical composition comprises a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier of excipient. A method of treating a HCV infection in a subject comprises administering to the subject a therapeutically effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof. A method of inhibiting or reducing the activity of HCV polymerase in a subject or in a biological in vitro sample comprises administering to the subject or to the sample a therapeutically effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof.

  一种化合物由结构式(I)或其药学上可接受的盐所代表，其中结构式(I)的变量如规范和权利要求所描述。一种药物组合物包括一种由结构式(I)或其药学上可接受的盐所代表的化合物，以及药学上可接受的载体或赋形剂。一种治疗HCV感染的方法包括向受试者施用一种由结构式(I)或其药学上可接受的盐所代表的治疗有效量的化合物。一种抑制或减少受试者或生物体外样本中HCV聚合酶活性的方法包括向受试者或样本中施用一种由结构式(I)或其药学上可接受的盐所代表的治疗有效量的化合物。