tert-butyl (R)-2-((tert-butoxycarbonyl)amino)-5-iodopentanoate | 240135-69-7

• 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: tert-butyl (R)-2-((tert-butoxycarbonyl)amino)-5-iodopentanoate
• 英文别名: (2R)-(t-butyloxycarbonylamino)-5-iodopentanoic acid t-butyl ester；tert-butyl (2R)-5-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
• CAS: 240135-69-7
• 化学式: C₁₄H₂₆INO₄
• 分子量: 399.269
• InChiKey: QPPOILFAPMMPJG-SNVBAGLBSA-N

物化性质

• 沸点：
  404.8±40.0 °C(Predicted)
• 密度：
  1.354±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 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：

  tert-butyl (R)-2-((tert-butoxycarbonyl)amino)-5-iodopentanoate 在 palladium on activated charcoal disodium hydrogenphosphate 、 sodium amalgam 、 二碳酸二叔丁酯 、 盐酸羟胺 、 氢气 、 碳酸氢钠 作用下， 以 甲醇 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 23.0 ℃ 、101.33 kPa 条件下， 反应 1.75h， 生成
  参考文献：
  名称：

  Synthesis of the L-arginine congener L-Indospicine and evaluation of its interaction with nitric oxide synthase

  摘要：

  L-Indospicine (Ind), a natural product amino acid analog of L-arginine, was synthesized from L-glutamic acid 2 in nine steps and 29% overall yield. Ind was evaluated as an alternative substrate or inhibitor of two nitric oxide synthase (NOS) isozymes. Ind did not act as either an alternative substrate or inhibitor of either NOS isozyme and these results were interpreted based on a recent model for substrate and inhibitor binding to the active site of NOS.

  DOI：

  10.1016/0960-894x(95)00569-f
• 作为产物：
  描述：

  tert-butyl (R)-2-((tert-butoxycarbonyl)amino)-5-hydroxypentanoate 在 咪唑 、 碘 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 生成 tert-butyl (R)-2-((tert-butoxycarbonyl)amino)-5-iodopentanoate
  参考文献：
  名称：

  [EN] MLL1 INHIBITORS AND ANTI-CANCER AGENTS
  [FR] INHIBITEURS DE MLL1 ET AGENTS ANTICANCÉREUX

  摘要：

  本发明提供了一种公式（I）的化合物：或其对映体、对映体混合物或药学上可接受的盐；其中变量如本文所定义。本发明还提供了包含这样的化合物的药物组合物；以及使用这样的化合物治疗由混合谱系白血病1（MLL1）介导的疾病或病况的方法。

  公开号：

  WO2021239077A1

文献信息

• Sulfonylamino derivatives which inhibit matrix-degrading metalloproteinases
  申请人：Novartis AG

  公开号：US06410580B1

  公开（公告）日：2002-06-25

  Compounds of formula (I) wherein W is —OH or —NHOH; X is an optionally substituted heterocycle, NR1SO2R2, heterocyclylalkythio, CONR2R3 or NR1COR2; Y, Z, R1-R3 and n are as defined in the application. Compounds (I) are inhibitors of matrix-degrading metalloproteinases and are use for the treatment of related conditions.

  式（I）中的化合物，其中W为—OH或—NHOH；X为可选择取代的杂环、NR1SO2R2、杂环烷硫基、CONR2R3或NR1COR2；Y、Z、R1-R3和n的定义如申请中所述。化合物（I）是基质降解金属蛋白酶的抑制剂，用于治疗相关疾病。
• Sulfonylamino acid and sulfonylamino hydroxamic acid derivatives
  申请人：Novartis AG

  公开号：US06277987B1

  公开（公告）日：2001-08-21

  Compounds of formula wherein W is —OH or —NHOH; X is a heterocycle with the proviso that when X is a nitrogen containing heterocycle, the heterocycle is attached to the (CH2)m moiety by a ring nitrogen, —CONR2R3, —NR1COR2, —NR1SO2R2, —NR1CONR2R3, —NR1COOR4, heteroarylthio, alkylthio, arylalkylthio, heteroarylalkylthio, heterocycloalkylalkylthio, heterocycloalkylthio or arylthio; Y is carbon, nitrogen, oxygen or sulfur, provided that when Y is carbon, n is 2; Z is alkyl, aryl, alkoxy, aryloxy, aralkoxyaryl, aralkoxyheteroaryl, heteroaryl, heterocycloalkyl, heteroaryloxy, —CONR2R3, —NR1COR2, —NR1CONR2R3, —OCONR2R3, —NR1COOR4, or —SO2R2; R1 is hydrogen, alkyl, heterocycloalkylalkyl, aralkyl or heteroarylalkyl; R2 and R3 are independently R1, aryl or heteroaryl; or R2 and R3 taken together with the nitrogen atom to which they are attached form a 5- to 7-membered ring, which may optionally contain another heteroatom selected from oxygen, nitrogen and sulfur; R4 is alkyl, heterocycloalkylalkyl, aralkyl, aryl or heteroaryl; m represents an integer from one to six; n represents the integer one or two; and pharmaceutically acceptable salts thereof; pharmaceutical compositions comprising said compounds; and a method of inhibiting matrix-degrading metalloproteinases in mammals using such compounds. Compounds of formula I are inhibitors of matrix-degrading metalloproteinases and are useful for the treatment of conditions related thereto.

  式I的化合物是基质降解金属蛋白酶的抑制剂，对与之相关的疾病的治疗有用。
• LYSINE ISOTOPOLOGUES, COMPOSITIONS COMPRISING THE SAME AND METHODS OF SYNTHESIS
  申请人：Cambridge Isotope Laboratories, Inc.

  公开号：US20160016890A1

  公开（公告）日：2016-01-21

  This invention relates to lysine isotopologues of Formulas I and 1-A, as described herein, and processes for synthesizing the same and derivatives and intermediates involved therein. In one aspect, described herein is a chemical compound comprising an isotopically labeled analog, i.e., an isotopologue of a standard or naturally occurring lysine. The lysine isotopologue is synthetically formed to have stable isotopes of elements incorporated at selected positions. As such, the lysine isotopologue has a molecular mass different from the mass of a standard or naturally occurring lysine.

  本发明涉及如本文所述的赖氨酸同位素异构体I和1-A的式子，以及合成这些同位素异构体及其衍生物和中间体的方法。在一个方面，本文描述了一种化学化合物，其包含一个同位素标记的类似物，即标准或天然存在的赖氨酸的同位素异构体。该赖氨酸同位素异构体是通过合成方法形成的，其中稳定元素同位素被整合到选定位置。因此，该赖氨酸同位素异构体的分子质量与标准或天然存在的赖氨酸的质量不同。
• US6277987B1
  申请人：——

  公开号：US6277987B1

  公开（公告）日：2001-08-21
• US6410580B1
  申请人：——

  公开号：US6410580B1

  公开（公告）日：2002-06-25