2-[3,5-bis(hydroxymethyl)phenoxy]acetate | 1107630-95-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[3,5-bis(hydroxymethyl)phenoxy]acetate
• 英文别名: 4-(3,5-bis-hydroxymethyl-phenoxy)-acetic acid methyl ester；Methyl 2-(3,5-bis(hydroxymethyl)phenoxy)acetate；methyl 2-[3,5-bis(hydroxymethyl)phenoxy]acetate
• CAS: 1107630-95-4
• 化学式: C₁₁H₁₄O₅
• 分子量: 226.229
• InChiKey: CFQATXCVAZBXQX-UHFFFAOYSA-N

物化性质

• 沸点：
  405.1±40.0 °C(Predicted)
• 密度：
  1.274±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  76
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[3,5-bis(hydroxymethyl)phenoxy]acetate 在 氢溴酸 、 溶剂黄146 、 硫脲 作用下， 以 乙醇 为溶剂， 反应 72.0h， 生成 2-(3,5-bis(mercaptomethyl)phenoxy)acetic acid
  参考文献：
  名称：

  A Selective Turn-On Fluorescent Sensor for Sulfur Mustard Simulants

  摘要：

  A fluorescent turn-on sensor for the selective and sensitive detection of sulfur mustard simulants in water that uses a metal-ion indicator displacement assay (IDA) has been devised. In this IDA approach, a sulfur mustard simulant (the analyte) is allowed to react with a dithiol (1) to form a podand (2). This podand has a strong affinity to bind with Cd2+ and displaces an indicator (4-methylesculetin, ME) from a Cd2+ indicator complex (8) to give a turn-on of fluorescence. The detection is rapid and highly selective, as we did not observe any interference from other electrophiles, even from the oxygen analogue of the mustard simulant. The protocol was successfully used for the detection of the simulant present on surfaces and in soil samples.

  DOI：

  10.1021/ja401845e
• 作为产物：
  描述：

  5-羟基间苯二甲酸 在 borane tetrahydrofuran 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 28.0h， 生成 2-[3,5-bis(hydroxymethyl)phenoxy]acetate
  参考文献：
  名称：

  用于递送活性成分的脂质分子及其组合物的制备和应用

  摘要：

  本发明公开了用于递送活性成分的脂质分子及其组合物的制备和应用，涉及生物医药领域。该新型脂质分子包含通式(Ⅰ)、(Ⅱ)或(Ⅲ)： 可用于将活性成分(如核酸、多肽、蛋白)递送至细胞和/或器官。本发明的实施方案提供了多种新脂质分子的核酸‑脂质纳米粒子组合物，由其组成的脂质纳米递送系统用于递送mRNA；在细胞水平和动物水平上，均表现出优于目前上市的产品DLin‑MC3‑DMA递送效率，可以作为核酸药物的递送新的方法，促进核酸药物的发展。

  公开号：

  CN115286523A

文献信息

• [EN] NOVEL BENZODIAZEPINE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DE BENZODIAZÉPINE
  申请人：IMMUNOGEN INC

  公开号：WO2010091150A1

  公开（公告）日：2010-08-12

  The invention relates to novel benzodiazepine derivatives with antiproliferative activity and more specifically to novel benzodiazepines of formula (I) and (II), in which the diazepine ring (B) is fused with a heterocyclic ring (CD), wherein the heterocyclic ring is bicyclic or a compound of formula (III), in which the diazepine ring (B) is fused with a heterocyclic ring (C), wherein the heterocyclic ring is monocyclic. The invention provides cytotoxic dimers of these compounds. The invention also provides conjugates of the monomers and the dimers. The invention further provides compositions and methods useful for inhibiting abnormal cell growth or treating a proliferative disorder in a mammal using the compounds or conjugates of the invention. The invention further relates to methods of using the compounds or conjugates for in vitro, in situ, and in vivo diagnosis or treatment of mammalian cells, or associated pathological conditions.

  该发明涉及具有抗增殖活性的新型苯二氮䓬啶衍生物，更具体地涉及具有式(I)和(II)的新型苯二氮䓬啶化合物，其中二氮䓬啶环(B)与杂环环(CD)融合，其中杂环环是双环的或式(III)的化合物，其中二氮䓬啶环(B)与杂环环(C)融合，其中杂环环是单环的。该发明提供了这些化合物的细胞毒性二聚体。该发明还提供了单体和二聚体的结合物。该发明进一步提供了使用该发明的化合物或结合物抑制异常细胞生长或治疗哺乳动物增殖性疾病的有效组合物和方法。该发明还涉及使用该发明的化合物或结合物进行体外、原位和体内诊断或治疗哺乳动物细胞或相关病理条件的方法。
• NOVEL BENZODIAZEPINE DERIVATIVES
  申请人：Li Wei

  公开号：US20100203007A1

  公开（公告）日：2010-08-12

  The invention relates to novel benzodiazepine derivatives with antiproliferative activity and more specifically to novel benzodiazepines of formula (I) and (II), in which the diazepine ring (B) is fused with a heterocyclic ring (CD), wherein the heterocyclic ring is bicyclic or a compound of formula (III), in which the diazepine ring (B) is fused with a heterocyclic ring (C), wherein the heterocyclic ring is monocyclic. The invention provides cytotoxic dimers of these compounds. The invention also provides conjugates of the monomers and the dimers. The invention further provides compositions and methods useful for inhibiting abnormal cell growth or treating a proliferative disorder in a mammal using the compounds or conjugates of the invention. The invention further relates to methods of using the compounds or conjugates for in vitro, in situ, and in vivo diagnosis or treatment of mammalian cells, or associated pathological conditions.

  本发明涉及具有抗增殖活性的新型苯二氮平衍生物，更具体地涉及公式（I）和（II）的新型苯二氮平，其中二氮平环（B）与杂环环（CD）融合，其中杂环环为双环或公式（III）的化合物，其中二氮平环（B）与杂环环（C）融合，其中杂环环为单环。本发明提供这些化合物的细胞毒性二聚体。本发明还提供单体和二聚体的结合物。本发明还提供使用该发明的化合物或结合物抑制异常细胞生长或治疗哺乳动物增殖性疾病的组合物和方法。本发明还涉及使用该化合物或结合物进行哺乳动物细胞的体外、原位和体内诊断或治疗，或相关病理条件的方法。
• CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE
  申请人：Bouchard Hervé

  公开号：US20100316656A1

  公开（公告）日：2010-12-16

  The invention relates to novel tomaymicine derivatives comprising a linker. It also relates to the conjugate molecules that comprise one or more of said tomaymicine derivatives covalently linked to a cell binding agent through a linking group that is present on the linker of the tomaymycin derivative. It also relates to the preparation of the tomaymicine derivatives and of the conjugate molecules.

  本发明涉及一种新型的含有连接器的托马伊霉素衍生物。它还涉及到包含一种或多种上述托马伊霉素衍生物的共轭分子，该共轭分子通过位于托马伊霉素衍生物连接器上的连接基与细胞结合剂共价连接。它还涉及到托马伊霉素衍生物和共轭分子的制备。
• Benzodiazepine derivatives
  申请人：ImmunoGen, Inc.

  公开号：US10208127B2

  公开（公告）日：2019-02-19

  The invention relates to novel benzodiazepine derivatives with antiproliferative activity and more specifically to novel benzodiazepines of formula (I) and (II), in which the diazepine ring (B) is fused with a heterocyclic ring (CD), wherein the heterocyclic ring is bicyclic or a compound of formula (III), in which the diazepine ring (B) is fused with a heterocyclic ring (C), wherein the heterocyclic ring is monocyclic. The invention provides cytotoxic dimers of these compounds. The invention also provides conjugates of the monomers and the dimers. The invention further provides compositions and methods useful for inhibiting abnormal cell growth or treating a proliferative disorder in a mammal using the compounds or conjugates of the invention. The invention further relates to methods of using the compounds or conjugates for in vitro, in situ, and in vivo diagnosis or treatment of mammalian cells, or associated pathological conditions.

  本发明涉及具有抗增殖活性的新型苯并二氮杂卓衍生物，更具体地说，涉及式(I)和(II)的新型苯并二氮杂卓，其中二氮杂卓环(B)与杂环(CD)融合，其中杂环为双环；或式(III)的化合物，其中二氮杂卓环(B)与杂环(C)融合，其中杂环为单环。本发明提供了这些化合物的细胞毒性二聚体。本发明还提供了单体和二聚体的共轭物。本发明进一步提供了使用本发明化合物或共轭物抑制哺乳动物异常细胞生长或治疗增殖性疾病的组合物和方法。本发明进一步涉及使用本发明化合物或共轭物体外、原位和体内诊断或治疗哺乳动物细胞或相关病理状况的方法。
• 用于递送活性成分的脂质分子及其组合物的制备和应用
  申请人：中国科学院基础医学与肿瘤研究所（筹）

  公开号：CN115286523A

  公开（公告）日：2022-11-04

  本发明公开了用于递送活性成分的脂质分子及其组合物的制备和应用，涉及生物医药领域。该新型脂质分子包含通式(Ⅰ)、(Ⅱ)或(Ⅲ)： 可用于将活性成分(如核酸、多肽、蛋白)递送至细胞和/或器官。本发明的实施方案提供了多种新脂质分子的核酸‑脂质纳米粒子组合物，由其组成的脂质纳米递送系统用于递送mRNA；在细胞水平和动物水平上，均表现出优于目前上市的产品DLin‑MC3‑DMA递送效率，可以作为核酸药物的递送新的方法，促进核酸药物的发展。