BOC-3-甲氧基-L-苯丙氨酸 | 261360-71-8

• 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: BOC-3-甲氧基-L-苯丙氨酸
• 中文别名: 叔丁氧羰基-3-甲氧基-L-苯丙氨酸
• 英文名称: (S)-2-((tert-butoxycarbonyl)amino)-3-(3-methoxyphenyl)propanoic acid
• 英文别名: Boc-3-Methoxy-L-Phenylalanine；(2S)-3-(3-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
• CAS: 261360-71-8
• 化学式: C₁₅H₂₁NO₅
• 分子量: 295.335
• InChiKey: GOHDMZILHKRUGN-LBPRGKRZSA-N

物化性质

• 沸点：
  461.7±40.0 °C(Predicted)
• 密度：
  1.168±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  84.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  BOC-3-甲氧基-L-苯丙氨酸 在 potassium carbonate 、 sodium amide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 [(S)-3-Methanesulfinyl-1-(3-methoxy-benzyl)-2-oxo-propyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Structure–activity and structure–metabolism relationships of HIV protease inhibitors containing the 3-hydroxy-2-methylbenzoyl-allophenylnorstatine structure

  摘要：

  A series of peptidomimetic human immunodeficiency virus (HIV) protease inhibitors containing substituted allophenyinorstatine [Apns: (2S,3S)-3-amino-2-hydroxy-4-phenylbutyric acid] were designed and synthesized. From the structure-metabolism relationship of this type of HIV protease inhibitors, the compounds having para substitution of the phenyl ring of Apris and/or 2,6-disubstitution of the P2' benzylamine were found to be able to avoid the P2 phenol glucuronidation that occurs with SM-319777 (formerly named JE-2147, KNI-764); one of the main metabolic pathways of SM-319777. These new analogues, such as SM-322377, had more desirable pharmacokinetic profiles and more potent antiviral activity against not only wild type HIV-1 but also the multi-drug-resistant HIV-1 than SM-319777. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.10.037
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 3-methoxy-L-phenylalanine 在 三乙胺 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 BOC-3-甲氧基-L-苯丙氨酸
  参考文献：
  名称：

  Structure–activity and structure–metabolism relationships of HIV protease inhibitors containing the 3-hydroxy-2-methylbenzoyl-allophenylnorstatine structure

  摘要：

  A series of peptidomimetic human immunodeficiency virus (HIV) protease inhibitors containing substituted allophenyinorstatine [Apns: (2S,3S)-3-amino-2-hydroxy-4-phenylbutyric acid] were designed and synthesized. From the structure-metabolism relationship of this type of HIV protease inhibitors, the compounds having para substitution of the phenyl ring of Apris and/or 2,6-disubstitution of the P2' benzylamine were found to be able to avoid the P2 phenol glucuronidation that occurs with SM-319777 (formerly named JE-2147, KNI-764); one of the main metabolic pathways of SM-319777. These new analogues, such as SM-322377, had more desirable pharmacokinetic profiles and more potent antiviral activity against not only wild type HIV-1 but also the multi-drug-resistant HIV-1 than SM-319777. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.10.037

文献信息

• Substituted hydantoins
  申请人：Goodnow, Alan Robert

  公开号：US20060063814A1

  公开（公告）日：2006-03-23

  The present invention relates to compounds of the formula which are useful in treating diseases characterized by the hyperactivity of MEK. Accordingly the compounds are useful in the treatment of diseases, such as, cancer, cognative and CNS disorders and inflammatory/autoimmune diseases.

  本发明涉及以下公式的化合物，这些化合物在治疗以MEK高活性为特征的疾病方面具有用途。因此，这些化合物在治疗癌症、认知和中枢神经系统疾病以及炎症/自身免疫疾病等疾病方面具有用途。
• Modulators of serotonin receptors
  申请人：Wacker A. Dean

  公开号：US20050080074A1

  公开（公告）日：2005-04-14

  The present invention provides modulators of serotonin receptors, pharmaceutical compositions containing such modulators and methods for treating various diseases, conditions and disorders associated with modulation of serotonin receptors such as, for example: metabolic diseases, which includes but is not limited to obesity, diabetes, diabetic complications, atherosclerosis, impared glucose tolerance and dyslipidemia; central nervous system diseases which includes but is not limited to, anxiety, depression, obsessive compulsive disorder, panic disorder, psychosis, schizophrenia, sleep disorder, sexual disorder and social phobias; cephalic pain; migraine; and gastrointestinal disorders using such compounds and compositions.

  本发明提供了血清素受体调节剂，包含这些调节剂的药物组合物以及治疗与血清素受体调节相关的各种疾病、症状和疾患的方法，例如：代谢性疾病，包括但不限于肥胖、糖尿病、糖尿病并发症、动脉粥样硬化、糖耐量受损和血脂异常；中枢神经系统疾病，包括但不限于焦虑、抑郁、强迫症、恐慌症、精神病、精神分裂症、睡眠障碍、性功能障碍和社交恐惧症；头痛；偏头痛；以及使用这些化合物和组合物治疗胃肠道疾病。
• [EN] THIENOPYRIMIDINE INHIBITORS OF ATYPICAL PROTEIN KINASE C<br/>[FR] INHIBITEURS DE TYPE THIÉNOPYRIMIDINE DE PROTÉINES KINASES C ATYPIQUES
  申请人：CANCER REC TECH LTD

  公开号：WO2013078126A1

  公开（公告）日：2013-05-30

  The present invention provides a compound of formula (I) or a salt thereof, wherein R1, R2, R3, R4, R5, R6, A, G, M, Q and X are as defined herein. A compound of formula (I) and its salts have a PKC inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供了一种式（I）的化合物或其盐，其中R1、R2、R3、R4、R5、R6、A、G、M、Q和X如本文所定义。式（I）的化合物及其盐具有PKC抑制活性，并可用于治疗增生性疾病。
• [EN] INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS<br/>[FR] INHIBITEUR D'ANTAGONISTES DE LA PROTÉINE D'APOPTOSE (IAP)
  申请人：SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST

  公开号：WO2021222614A1

  公开（公告）日：2021-11-04

  Provided herein are compounds that modulate the activity of melanoma inhibitor of apoptosis (ML-IAP) protein, compositions comprising the compounds, and methods of using the compounds and compositions comprising the compounds.

  本文提供了调节黑色素瘤抑制凋亡蛋白（ML-IAP）活性的化合物，包括这些化合物的组合物，以及使用这些化合物和包含这些化合物的组合物的方法。
• MODULATORS OF SEROTONIN RECEPTORS
  申请人：Wacker A. Dean

  公开号：US20070213337A1

  公开（公告）日：2007-09-13

  The present invention provides modulators of serotonin receptors, pharmaceutical compositions containing such modulators and methods for treating various diseases, conditions and disorders associated with modulation of serotonin receptors such as, for example: metabolic diseases, which includes but is not limited to obesity, diabetes, diabetic complications, atherosclerosis, impaired glucose tolerance and dyslipidemia; central nervous system diseases which includes but is not limited to, anxiety, depression, obsessive compulsive disorder, panic disorder, psychosis, schizophrenia, sleep disorder, sexual disorder and social phobias; cephalic pain; migraine; and gastrointestinal disorders using such compounds and compositions.

  本发明提供了5-羟色胺受体调节剂，包含这种调节剂的药物组合物以及使用这些化合物和组合物治疗与5-羟色胺受体调节相关的各种疾病、病况和障碍的方法，例如：代谢性疾病，包括但不限于肥胖症、糖尿病、糖尿病并发症、动脉粥样硬化、糖耐量受损和血脂异常；中枢神经系统疾病，包括但不限于焦虑、抑郁、强迫症、惊恐障碍、精神病、精神分裂症、睡眠障碍、性功能障碍和社交恐惧症；头痛；偏头痛；和使用这些化合物和组合物治疗胃肠道疾病。