methyl (2S)-2-[[(tert-butoxy)carbonyl]amino]-4-(methanesulfonyloxy)butanoate

• 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: methyl (2S)-2-[[(tert-butoxy)carbonyl]amino]-4-(methanesulfonyloxy)butanoate
• 英文别名: methyl (2S)-2-(tert-butoxycarbonylamino)-4-methylsulfonyloxybutanoate；methyl (S)-4-(methylsulfonyloxy)-2-((tert-butoxy)carbonylamino) butyrate；Methyl N-(tert-butoxycarbonyl)-O-(methylsulfonyl)homoserinate；methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfonyloxybutanoate
• 化学式: C₁₁H₂₁NO₇S
• 分子量: 311.356
• InChiKey: QEXHEDPEWRFFGA-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  116
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl (2S)-2-[[(tert-butoxy)carbonyl]amino]-4-(methanesulfonyloxy)butanoate 在 lithium bromide 作用下， 以 丙酮 为溶剂， 反应 2.0h， 生成 (S)-4-溴-2-(叔丁氧羰基氨基)丁酸甲酯
  参考文献：
  名称：

  [EN] CALPAIN MODULATORS AND METHODS OF PRODUCTION AND USE THEREOF
  [FR] MODULATEURS DE CALPAÏNE ET LEURS MÉTHODES DE PRODUCTION ET D'UTILISATION

  摘要：

  这项技术涉及到用于治疗纤维化疾病的化合物、试剂盒、组合物和方法。在某些方面，这项技术提供了治疗与卡尔帕因（如CAPN1、CAPN2和/或CAPN9）至少部分相关或介导的各种疾病或疾病的方法。这项技术通常适用于抑制肌成纤维细胞分化的化合物。

  公开号：

  WO2017156074A1
• 作为产物：
  描述：

  methyl (2S)-2-[[(tert-butoxy)carbonyl]amino]-4-[(tert-butyldimethylsilyl)oxy]butanoate 在 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 5.0h， 生成 methyl (2S)-2-[[(tert-butoxy)carbonyl]amino]-4-(methanesulfonyloxy)butanoate
  参考文献：
  名称：

  5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF

  摘要：

  这里描述了化合物的公式（00A）及其作为Janus激酶抑制剂的使用方法。

  公开号：

  US20150336962A1

文献信息

• CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP1209147A1

  公开（公告）日：2002-05-29

  Prevention or therapy of inflammatory diseases caused by invasion of leukocytes such as monocytes, lymphocytes and eosinophils, by providing a substance which inhibits cell adhesion via an adhesion molecule, especially adhesion molecule VLA-4, is disclosed. A group of carboxylic acid derivatives represented by, for example, and adhesion molecule inhibitors comprising the same as an effective ingredient were provided.

  通过提供一种通过粘附分子抑制细胞粘附的物质，特别是粘附分子VLA-4，来预防或治疗由单核细胞、淋巴细胞和嗜酸性粒细胞侵袭引起的炎症性疾病的方法被揭示。提供了一组由羧酸衍生物代表的粘附分子抑制剂，例如，以其为有效成分的粘附分子抑制剂。
• [EN] POLYMYXIN ANALOGS USEFUL AS ANTIBIOTIC POTENTIATORS<br/>[FR] ANALOGUES DE LA POLYMYXINE UTILES EN TANT QUE POTENTIALISATEURS D'ANTIBIOTIQUE
  申请人：SPERO OPCO

  公开号：WO2017189866A1

  公开（公告）日：2017-11-02

  The disclosure provides compounds of the formula (I) or a tautomer thereof, or a pharmaceutically acceptable salt of either of the foregoing. The variables A, R1, and R2 are defined in the disclosure. The disclosure further includes pharmaceutical compositions comprising a compound of formula I together with at least one pharmaceutically acceptable carrier. The disclosure also includes a method of sensitizing bacteria to an antibacterial agent, comprising administering to a patient infected with the bacteria, simultaneously or sequentially, a therapeutically effective amount of the antibacterial agent and a compound of formula (I).

  该披露提供了式(I)的化合物或其互变异构体，或者上述任一化合物的药学上可接受的盐。变量A、R1和R2在披露中有定义。该披露还包括包含式I化合物和至少一种药学上可接受的载体的药物组合物。该披露还包括一种使细菌对抗菌剂产生敏感的方法，包括向感染有该细菌的患者同时或顺序地给予抗菌剂和式(I)化合物的治疗有效量。
• [EN] SMALL MOLECULE STAT PROTEIN DEGRADERS<br/>[FR] AGENTS DE DÉGRADATION DE PROTÉINE STAT À PETITES MOLÉCULES
  申请人：UNIV MICHIGAN REGENTS

  公开号：WO2021195481A1

  公开（公告）日：2021-09-30

  The present disclosure provides compounds represented by Formula (I) and the pharmaceutically acceptable salts and solvates thereof, wherein R1a, R1b, R3a, R4, A, E1, E2, M, and Q are as set forth in the specification. Compounds of Formula (I) are STAT protein degraders and thus are useful for the treatment of cancer and other diseases.

  本公开提供由式（I）表示的化合物及其药用可接受的盐和溶剂化物，其中R1a、R1b、R3a、R4、A、E1、E2、M和Q如规范中所述。式（I）的化合物是STAT蛋白降解物，因此对于癌症和其他疾病的治疗是有用的。
• Process for Preparation of Nonnatural Amino Acid and Intermediate Thereof
  申请人：Ishii Yutaka

  公开号：US20070208180A1

  公开（公告）日：2007-09-06

  A process for the preparation of a nonnatural amino acid represented by the following formula (C): which is characterized by reacting a compound represented by the following formula (A1), a compound represented by the following formula (A2) and a compound represented by the following formula (A3) (step 1): to form a compound represented by the following formula (B): and then subjecting the compound (B) to deprotection of protective groups of carboxyl groups and to decarboxylation (wherein X 1 and X 2 are a leaving group, R 1 is an aromatic group, an unsaturated heterocyclic group, or R 6 CO group, R 2 and R 3 are a protected carboxyl group, R 4 is a protected amino group, R 5 is hydrogen atom, an aliphatic hydrocarbon group, an aromatic group, or a heterocyclic group, R 6 is an aromatic group or an unsaturated heterocyclic group, etc., and p, q and r are an integer of 0 to 10).

  一种制备以下式(C)所表示的非天然氨基酸的方法，其特征在于将以下式(A1)、以下式(A2)和以下式(A3)所表示的化合物进行反应（步骤1）：以形成以下式(B)所表示的化合物，然后将化合物(B)进行羧基保护基的去保护和脱羧作用（其中X1和X2是离去基，R1是芳香基、不饱和杂环基或R6CO基，R2和R3是保护羧基，R4是保护氨基，R5是氢原子、脂肪烃基、芳香基或杂环基，R6是芳香基或不饱和杂环基等，p、q和r是0到10的整数）。
• PROCESS FOR PRODUCTION OF NONNATURAL AMINO ACIDS AND INTERMEDIATES THEREFOR
  申请人：DAISO CO., LTD.

  公开号：EP1739077A1

  公开（公告）日：2007-01-03

  A process for the preparation of a nonnatural amino acid represented by the following formula (C): which is characterized by reacting a compound represented by the following formula (A1), a compound represented by the following formula (A2) and a compound represented by the following formula (A3) (step 1): to form a compound represented by the following formula (B): and then subjecting the compound (B) to deprotection of protective groups of carboxyl groups and to decarboxylation (wherein X1 and X2 are a leaving group, R1 is an aromatic group, an unsaturated heterocyclic group, or R6CO group, R2 and R3 are a protected carboxyl group, R4 is a protected amino group, R5 is hydrogen atom, an aliphatic hydrocarbon group, an aromatic group, or a heterocyclic group, R6 is an aromatic group or an unsaturated heterocyclic group, etc., and p, q and r are an integer of 0 to 10).

  一种制备下式(C)所代表的非天然氨基酸的工艺： 其特征在于将下式（A1）代表的化合物、下式（A2）代表的化合物和下式（A3）代表的化合物反应（步骤 1）： 生成下式（B）代表的化合物： 然后将化合物（B）进行羧基保护基团的脱保护和脱羧（其中 X1 和 X2 是离去基团，R1 是芳香基团、不饱和杂环基团或 R6CO 基团，R2 和 R3 是受保护的羧基，R4 是受保护的氨基，R5 是氢原子、脂肪烃基团、芳香基团或杂环基团，R6 是芳香基团或不饱和杂环基团等、以及 p、q 和 r 为 0 至 10 的整数）。