BocNle-OMe | 87974-77-4

• 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
• 英文名称: BocNle-OMe
• 英文别名: N-Boc-(S)-leucine methyl ester；methyl (2S)-2-tert-butoxycarbonylaminohexanoate；methyl 2-((tert-butoxycarbonyl)amino)hexanoate；methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}hexanoate；methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
• CAS: 87974-77-4
• 化学式: C₁₂H₂₃NO₄
• 分子量: 245.319
• InChiKey: ROZBCRMGQFLYFJ-VIFPVBQESA-N

物化性质

• 沸点：
  327.8±25.0 °C(Predicted)
• 密度：
  1.010±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  BocNle-OMe 在 N-甲基吗啉 、 potassium cyanide 、 lithium hydroxide 、 sodium tetrahydroborate 、 18-冠醚-6 、 三氧化硫吡啶 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Ketoheterocycle-based inhibitors of cathepsin K: A novel entry into the synthesis of peptidic ketoheterocycles

  摘要：

  Ketoheterocyclic inhibitors of cathepsin K have been disclosed. SAR of potency enhancing P-2-P-3 groups coupled with ketoheterocyclic warheads to provide cathepsin K inhibitors have been described. In addition, a novel route to access alpha-ketothiazoles using a key thioamide functionality has been disclosed. The mild method employed allows for the presence of diverse functional groups, such as amide and carbamate functionalities, commonly found in protease inhibitors that have peptidomimetic scaffolds. This new method should provide a quick entry into functionally diverse protease inhibitors. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.091
• 作为产物：
  描述：

  L-norleucine methyl ester 在 吡啶 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 85.0 ℃ 、266.64 Pa 条件下， 生成 BocNle-OMe
  参考文献：
  名称：

  Design of small molecule ketoamide-based inhibitors of cathepsin K

  摘要：

  A novel series of ketoamide-based inhibitors of cathepsin K has been identified. Modifications to p(2) and p(3) elements were crucial to enhancing inhibitory activity. Although not optimized, a selected inhibitor was effective in attenuating type 1 collagen hydrolysis in a surrogate assay of bone resorption. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.029

文献信息

• Les organocuprates dans une nouvelle synthese d'aminoacides enantiomeriquement purs
  作者：J.A. Bajgrowicz、A. El Hallaoui、R. Jacquier、Ch. Pigiere、Ph. Viallefont

  DOI：10.1016/s0040-4020(01)96546-9

  日期：1985.1

  A new general method of synthesis of optically pure α- amino esters was elaborated during studies on the reaction of organocuprates with tosyl and halogeno derivatives of L-serine and L-homoserine.

  在研究有机铜酸盐与L-丝氨酸和L-高丝氨酸的甲苯磺酰基和卤代衍生物的反应过程中，阐述了一种合成光学纯的α-氨基酯的新通用方法。
• Lithium diorganocuprate reactions with l-serine derivatives
  作者：J.A. Bajgrowicz、A. El Hallaoui、R. Jacquier、Ch. Pigière、Ph. Viallefont

  DOI：10.1016/s0040-4039(01)81283-1

  日期：——

  The lithium diorganocuprate reactions with L-serine derivatives are studied. Retention of configuration, or at least a high enantiomeric excess (>80%) of the formed α-amino esters is observed in all cases. Attempts are made to restrict side-reactions.

  研究了L-丝氨酸衍生物的二有机十二酸锂反应。在所有情况下都观察到构型的保留，或至少高对映体过量（> 80％）的形成的α-氨基酯。试图限制副反应。
• Amino compounds and angiotensin IV receptor agonists
  申请人：Taisho Pharmaceutical Co., Ltd.

  公开号：US06066672A1

  公开（公告）日：2000-05-23

  The present invention provides an amino compound represented by Formula: ##STR1## wherein X is CH.sub.2 NH or CONH, Y is CH.sub.2 NH or CONH with the proviso that X and Y are not CONH at the same time; Z is CH.dbd.C(R.sup.4)R.sup.5, CH.sub.2 CH(R.sup.4)R.sup.5 or an alkoxycarbonyl group, R.sup.1 is a hydrogen atom; a lower alkyl group, a cycloalkyl group, a cycloalkyl-substituted alkyl group, an aralkyl group or an aryl group, each group of which is substituted or unsubstituted, R.sup.2 and R.sup.3 are each independently a lower alkyl group or an aralkyl group, each group of which is substituted or unsubstituted, and R.sup.4 and R.sup.5 are each independently a hydrogen atom; an alkyl group, an aralkyl group, an aryl group or a heteroaryl group, each group of which is substituted or unsubstituted, or a pharmaceutically acceptable salt thereof; a medicine comprising the amino compound of Formula (1) or a pharmaceutically acceptable salt; and an angiotensin IV receptor agonist containing the same as an effective component, which are useful, in particular, as a therapeutical drug (antagonist or agonist) for various diseases in which angiotensin IV participates, for example, acceleration of renal blood flow, cerebral vasodilation, inhibition of cell proliferation and hypermnesia.

  本发明提供一种由公式表示的氨基化合物：##STR1## 其中，X是CH.sub.2 NH或CONH，Y是CH.sub.2 NH或CONH，但X和Y不能同时为CONH；Z是CH.dbd.C(R.sup.4)R.sup.5，CH.sub.2 CH(R.sup.4)R.sup.5或烷氧羰基基团，R.sup.1是氢原子；低碳基，环烷基，环烷基取代的烷基，芳基烷基或芳基，每个基团都是取代或未取代的，R.sup.2和R.sup.3分别是低碳基或芳基烷基，每个基团都是取代或未取代的，R.sup.4和R.sup.5分别是氢原子，烷基，芳基烷基，芳基或杂环芳基，每个基团都是取代或未取代的，或其药学上可接受的盐；包括公式（1）的氨基化合物或其药学上可接受的盐的药物；以及包含其作为有效成分的血管紧张素IV受体激动剂，特别是作为血管紧张素IV参与的各种疾病（例如加速肾脏血流，脑血管扩张，抑制细胞增殖和高记忆力）的治疗药物（拮抗剂或激动剂）。
• Isonitriles as Alkyl Radical Precursors in Visible Light Mediated Hydro‐ and Deuterodeamination Reactions**
  作者：Irene Quirós、María Martín、Miguel Gomez‐Mendoza、María Jesús Cabrera‐Afonso、Marta Liras、Israel Fernández、Luis Nóvoa、Mariola Tortosa

  DOI：10.1002/anie.202317683

  日期：2024.2.12

  We report the use of isonitriles as alkyl radical precursors in visible-light mediated hydro- and deuterodeamination reactions. Most examples only require visible-light irradiation of the isonitrile in the presence of a silyl radical precursor, although a significant acceleration was observed in the presence of an organic photocatalyst. The method is scalable, shows broad functional group compatibility

  我们报道了在可见光介导的加氢和氘代脱氨基反应中使用异腈作为烷基自由基前体。大多数例子仅需要在甲硅烷基自由基前体存在下对异腈进行可见光照射，尽管在有机光催化剂存在下观察到显着的加速。该方法具有可扩展性，显示出广泛的官能团兼容性，并且适用于 C α伯、C α仲和 C α叔烷基异腈。
• AMINO COMPOUNDS AND ANGIOTENSIN IV RECEPTOR AGONISTS
  申请人：TAISHO PHARMACEUTICAL CO. LTD

  公开号：EP0882699A1

  公开（公告）日：1998-12-09

  The present invention provides an amino compound represented by Formula: wherein X is CH2NH or CONH, Y is CH2NH or CONH with the proviso that X and Y are not CONH at the same time; Z is CH=C(R4)R5, CH2CH(R4)R5 or an alkoxycarbonyl group, R1 is a hydrogen atom; a lower alkyl group, a cycloalkyl group, a cycloalkyl-substituted alkyl group, an aralkyl group or an aryl group, each group of which is substituted or unsubstituted, R2 and R3 are each independently a lower alkyl group or an aralkyl group, each group of which is substituted or unsubstituted, and R4 and R5 are each independently a hydrogen atom; an alkyl group, an aralkyl group, an aryl group or a heteroaryl group, each group of which is substituted or unsubstituted, or a pharmaceutically acceptable salt thereof; a medicine comprising the amino compound of Formula (1) or a pharmaceutically acceptable salt; and an angiotensin IV receptor agonist containing the same as an effective component, which are useful, in particular, as a therapeutical drug (antagonist or agonist) for various diseases in which angiotensin IV participates, for example, acceleration of renal blood flow, cerebral vasodilation, inhibition of cell proliferation and hypermnesia.

  本发明提供了一种由式表示的氨基化合物： 其中X是CH2NH或CONH，Y是CH2NH或CONH，但X和Y不能同时是CONH；Z是CH=C(R4)R5，CH2CH(R4)R5或烷氧基羰基，R1是氢原子；一个低级烷基、一个环烷基、一个环烷基取代的烷基、一个芳烷基或一个芳基，其中每个基团都是取代或未取代的，R2 和 R3 各自独立地是一个低级烷基或一个芳烷基，其中每个基团都是取代或未取代的，R4 和 R5 各自独立地是一个氢原子；烷基、芳烷基、芳基或杂芳基，其中每个基团被取代或未被取代，或其药学上可接受的盐； 包含式（1）的氨基化合物或其药学上可接受的盐的药物；和一种血管紧张素 IV 受体激动剂，其中含有作为有效成分的血管紧张素 IV 受体激动剂，它们尤其可作为治疗药物（拮抗剂或激动剂），用于治疗血管紧张素 IV 参与的各种疾病，例如加速肾血流、扩张脑血管、抑制细胞增殖和记忆力减退。