tert-Butoxy-acetic acid 2,5-dioxo-pyrrolidin-1-yl ester | 658052-14-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: tert-Butoxy-acetic acid 2,5-dioxo-pyrrolidin-1-yl ester
• 英文别名: 1-[(tert-Butoxyacetyl)oxy]pyrrolidine-2,5-dione；(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxy]acetate
• CAS: 658052-14-3
• 化学式: C₁₀H₁₅NO₅
• 分子量: 229.233
• InChiKey: SADPDEVZQHJXOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  72.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,3,5-cis,cis-triamino-cyclohexane trihydrobromide 、 tert-Butoxy-acetic acid 2,5-dioxo-pyrrolidin-1-yl ester 在 sodium hydroxide 作用下， 以 水 、 苯 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以69%的产率得到cis,cis-1,3,5-triaminocyclohexane-tris(O-tert-butylglycolamide)
  参考文献：
  名称：

  Evaluation of copper chelation agents as anti-angiogenic therapy

  摘要：

  The design, synthesis and evaluation of N,N',N"-tris(2-pyridylmethyl)-cis,cis-1,3,5,-triaminocyclohexane (tachpyr, 1) derivatives as novel anti-angiogenic agents were performed in an in vitro endothelial cell proliferation assay to assess their cytotoxicity and selectivity. The selective nature of the anti-angiogenic agents for human umbilical vein endothelial cells (HUvec) was compared to a normal fibroblast cell line and a human Glioma cell line to evaluate these compounds. N,N',N"-tris(2-mercaptoethyl)-cis,cis-1,3,5-triaminocyclohexane trihydrochloride (3b) was superior to tachpyr in terms of selectivity of its inhibitory activity toward the proliferation of Huvec compared to the fibroblast and human Glioma cell lines. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00401-2
• 作为产物：
  描述：

  2-(1,1-dimethylethoxy)acetic acid methyl ester 在 氢氧化钾 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 乙醇 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 36.0h， 生成 tert-Butoxy-acetic acid 2,5-dioxo-pyrrolidin-1-yl ester
  参考文献：
  名称：

  Evaluation of copper chelation agents as anti-angiogenic therapy

  摘要：

  The design, synthesis and evaluation of N,N',N"-tris(2-pyridylmethyl)-cis,cis-1,3,5,-triaminocyclohexane (tachpyr, 1) derivatives as novel anti-angiogenic agents were performed in an in vitro endothelial cell proliferation assay to assess their cytotoxicity and selectivity. The selective nature of the anti-angiogenic agents for human umbilical vein endothelial cells (HUvec) was compared to a normal fibroblast cell line and a human Glioma cell line to evaluate these compounds. N,N',N"-tris(2-mercaptoethyl)-cis,cis-1,3,5-triaminocyclohexane trihydrochloride (3b) was superior to tachpyr in terms of selectivity of its inhibitory activity toward the proliferation of Huvec compared to the fibroblast and human Glioma cell lines. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00401-2

文献信息

• BIO-ORTHOGONAL DRUG ACTIVATION
  申请人：KONINKLIJKE PHILIPS N.V.

  公开号：US20160106859A1

  公开（公告）日：2016-04-21

  The invention relates to a Prodrug activation method, for therapeutics, wherein use is made of abiotic reactive chemical groups that exhibit bio-orthogonal reactivity towards each other. The invention also relates to a Prodrug kit comprising at least one Prodrug and at least one Activator, wherein the Prodrug comprises a Drug and a first Bio-orthogonal Reactive Group (the Trigger), and wherein the Activator comprises a second Bio-orthogonal Reactive Group. The invention also relates to targeted therapeutics used in the above-mentioned method and kit. The invention particularly pertains to antibody-drug conjugates and to bi- and trispecific antibody derivatives.

  该发明涉及一种用于治疗学的原药激活方法，其中使用了表现出彼此生物正交反应性的非生物活性化学基团。该发明还涉及一种包含至少一种原药和至少一种激活剂的试剂盒，其中原药包含药物和第一个生物正交反应基团（触发器），而激活剂包含第二个生物正交反应基团。该发明还涉及在上述方法和试剂盒中使用的靶向治疗剂。该发明特别适用于抗体药物偶联物和双特异性及三特异性抗体衍生物。
• Bio-orthogonal drug activation
  申请人：TAGWORKS PHARMACEUTICALS B.V.

  公开号：US10376594B2

  公开（公告）日：2019-08-13

  The invention relates to a Prodrug activation method, for therapeutics, wherein use is made of abiotic reactive chemical groups that exhibit bio-orthogonal reactivity towards each other. The invention also relates to a Prodrug kit comprising at least one Prodrug and at least one Activator, wherein the Prodrug comprises a Drug and a first Bio-orthogonal Reactive Group (the Trigger), and wherein the Activator comprises a second Bio-orthogonal Reactive Group. The invention also relates to targeted therapeutics used in the above-mentioned method and kit. The invention particularly pertains to antibody-drug conjugates and to bi- and trispecific antibody derivatives.

  本发明涉及一种用于治疗的原药活化方法，其中使用了相互之间具有生物正交反应性的非生物活性化学基团。本发明还涉及一种原药试剂盒，包括至少一种原药和至少一种活化剂，其中原药包括药物和第一生物正交反应基团（触发器），活化剂包括第二生物正交反应基团。本发明还涉及上述方法和试剂盒中使用的靶向治疗药物。本发明尤其涉及抗体-药物共轭物以及双特异性和三特异性抗体衍生物。
• Additive able to provide underwater adhesion
  申请人：BAXTER INTERNATIONAL INC.

  公开号：US10912859B2

  公开（公告）日：2021-02-09

  Compositions and methods for sealing tissue of a patient in a wet environment are disclosed.

  本发明公开了在潮湿环境中密封患者组织的组合物和方法。
• CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION
  申请人：Tagworks Pharmaceuticals B.V.

  公开号：US20190247513A1

  公开（公告）日：2019-08-15

  Disclosed is an advancement in provoked chemical cleavage. Thereby the invention provides the use of a diene as a chemically cleavable group attached to a Construct, and the use of a dienophile to provoke the release of the Construct by allowing the diene to react with a dienophile capable of undergoing an inverse electron demand Diels Alder reaction with the diene. The invention includes a kit for releasing a Construct C A bound to a Trigger T R , the kit comprising a tetrazine and a dienophile, wherein the Trigger is the tetrazine. The invention also includes the use of the formation of a pyridazine by reacting a tetrazine comprising a Construct C A bound thereto and a dienophile, as a chemical tool for the release, in a chemical, biological or physiological environment, of said Construct.
• US9421274B2
  申请人：——

  公开号：US9421274B2

  公开（公告）日：2016-08-23