2-(2-(2-(2-bromoethoxy)ethoxy)ethyl)-isoindole-1,3(2H)-dione | 86927-04-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-(2-(2-(2-bromoethoxy)ethoxy)ethyl)-isoindole-1,3(2H)-dione
• 英文别名: 1-(2-(2-phthalimidoethoxy)ethoxy)-2-bromoethane；2-{2-[2-(2-bromoethoxy)ethoxy]ethyl}-isoindole-1,3(2H)-dione；2-(2-(2-(2-Bromoethoxy)ethoxy)ethyl)isoindoline-1,3-dione；2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione
• CAS: 86927-04-0
• 化学式: C₁₄H₁₆BrNO₄
• 分子量: 342.189
• InChiKey: KDODZOZWGDTABT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(2-(2-(2-bromoethoxy)ethoxy)ethyl)-isoindole-1,3(2H)-dione 在 potassium carbonate 、 N,N-二异丙基乙胺 、 肼 作用下， 以 四氢呋喃 、 甲醇 、 乙腈 为溶剂， 反应 11.0h， 生成 4-Sulfamoyl-N-{2-[2-(2-tritylsulfanyl-ethoxy)-ethoxy]-ethyl}-benzamide
  参考文献：
  名称：

  生物芯片上蛋白质间相互作用的无标记检测。

  摘要：

  DOI：

  10.1002/anie.200501363
• 作为产物：
  描述：

  三乙二醇 在 四溴化碳 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.25h， 生成 2-(2-(2-(2-bromoethoxy)ethoxy)ethyl)-isoindole-1,3(2H)-dione
  参考文献：
  名称：

  [EN] CDK INHIBITORS AND PHARMACEUTICAL USES THEREOF
  [FR] INHIBITEURS DE CDK ET LEURS UTILISATIONS PHARMACEUTIQUES

  摘要：

  The disclosure relates to bifunctional CDK-modulating compounds having the structure W-L-T, where W is a targeting group (1a), 1b) and (1c), that binds specifically to a CDK protein, T is an E3-ligase binding group, and L is absent or is a bivalent linking group that connects W and T together via a covalent linkage. Compounds and pharmaceutical compositions thereof can promote degradation of one or more CDK protein in a cell and are thus useful for treating, inhibiting, and preventing CDK-associated diseases, disorders and conditions, including cancers. Formulas (1a), (1b) & (1c):

  公开号：

  WO2023205892A1

文献信息

• Application of the remote photocyclization with a pair system of phthalimide and methylthio groups. A photochemical synthesis of crown ether analogs.
  作者：MASAO WADA、HIDEO NAKAI、YASUHIKO SATO、YASUMARU HATANAKA、YUICHI KANAOKA

  DOI：10.1248/cpb.31.429

  日期：——

  Based on the regioselective remote photocyclization of a pair system consisting of a phthalimide group and a methylthio group, a homologous series of N-substituted phthalimides (4) possessing a terminal sulfide function in the poly-ether side chain afforded, on irradiation, seven- to fifteen-membered crown ether analogs (5-7) in moderate yields.

  基于具有邻位选择性的远程光环化反应，由邻苯二甲酰亚胺基团和甲硫基团组成的一对体系，在光照下，我们可以得到一系列N-取代的邻苯二甲酰亚胺（4），这些化合物在其聚醚侧链末端具有硫醚功能团。这些化合物在光照条件下，可以以中等产率生成七元至十五元的冠醚类似物（5-7）。
• Structure-related variable responses of calcium sensitive MRI probes
  作者：Ilgar Mamedov、Nikos K. Logothetis、Goran Angelovski

  DOI：10.1039/c1ob05463e

  日期：——

  A new series of Gd3+ complexes based on DO3A (GdL1–GdL4) was synthesized and investigated. They possess side chains with different structures which determine their varying binding properties and response towards endogenous metal ions, measured by changes in the longitudinal relaxivity (r1). GdL4 exhibits the highest selectivity toward Ca2+ in comparison to the other complexes, with up to a 63% increase

  合成并研究了一系列新的基于DO3A的Gd 3+配合物（GdL 1 – GdL 4）。它们具有不同结构的侧链，这些侧链决定了它们不同的结合特性和对内源性金属离子的响应，这通过纵向弛豫度（r 1）的变化来衡量。与其他配合物相比，GdL 4对Ca 2+的选择性最高，r 1最多增加63％。GdL 2和GdL 3也响应不同的Ca 2+浓度范围较低，但选择性较低，因为在存在其他阳离子（例如Mg 2 +，Zn 2+或Cu 2+）的情况下也观察到r 1的变化。通过发光寿命测量评估水合数（q）证实，q的变化是所有配合物的r 1响应的原因。
• DISULFIDE COMPOUNDS AND ANTINEOPLASTIC AGENTS
  申请人：KYOWA HAKKO KOGYO KABUSHIKI KAISHA

  公开号：EP0214303A1

  公开（公告）日：1987-03-18

  Mitomycin derivatives represented by general formula (I), wherein X represents X1 or X2, X1 represents an alkyl group, a cycloalkyl group (optionally substituted), a pyridyl group, an unsubstituted or substituted phenyl group, a residue of an amino acid having a thiol group or a dipeptide or tripeptide residue containing the amino acid excluding the thiol group, X2 represents a group represented by formula (II), (wherein A, represents -(CH2)m- (wherein m represents an integer of 3 to 12) or -(CH2CH20)n-CH2CH2- (wherein n represents an integer of 1 to 5), Y, Z, R,, and R2 are the same as defined with (1), provided that A represents -(CH2)ℓ- (wherein ℓ represents an integer of 3 to 8) when X is X, and A represents A, when X is X2, Y and Z each represents H or methyl, and one of R, and R2 represents a carbamoyloxymethyl group and the other represents H when X is X1, and one of them represents a carbamoyloxymethyl group and the other represents H, or both are bound to each other to form an exo-methylene group (= CH2) when X is X2. These compounds are superior to known mitomycin derivatives having two methylene units between a nitrogen atom at 7-position and a SS grouping in at least one of Cl value (chemotherapeutic index), reduction of side effects, and solubility in water.

  由通式(I)代表的丝裂霉素衍生物，其中 X 代表 X1 或 X2，X1 代表烷基、环烷基（任选取代的）、吡啶基、未取代或取代的苯基、具有硫醇基的氨基酸残基或含有不含硫醇基的氨基酸的二肽或三肽残基， X2 代表由式（II）表示的基团，（其中 A 代表-(CH2)m-（其中 m 代表 3 至 12 的整数）或-(CH2CH20)n-CH2CH2-（其中 n 代表 1 至 5 的整数）、Y、Z、R 和 R2 与 (1) 所定义的相同，条件是当 X 为 X 时，A 代表-(CH2)ℓ-（其中 ℓ 代表 3 至 8 的整数），当 X 为 X2 时，A 代表 A，Y 和 Z 各自代表 H 或甲基，R、和 R2 其中一个代表氨基甲酰氧甲基，另一个代表 H，当 X 为 X1 时；当 X 为 X2 时，其中一个代表氨基甲酰氧甲基，另一个代表 H，或两者相互结合形成外亚甲基（＝CH2）。这些化合物在 Cl 值（化疗指数）、减少副作用和水溶性等至少一个方面优于在 7 位氮原子和 SS 基团之间具有两个亚甲基单元的已知丝裂霉素衍生物。
• Hoechst-IR: An Imaging Agent That Detects Necrotic Tissue in Vivo by Binding Extracellular DNA
  作者：Madhuri Dasari、Sungmun Lee、Jay Sy、Dongin Kim、Seungjun Lee、Milton Brown、Michael Davis、Niren Murthy

  DOI：10.1021/ol100923d

  日期：2010.8.6

  Cell necrosis is central to the progression of numerous diseases, and imaging agents that can detect necrotic tissue have great clinical potential. We demonstrate here that a small molecule, termed Hoechst-IR, composed of the DNA binding dye Hoechst and the near-infrared dye IR-786, can image necrotic tissue in vivo via fluorescence imaging. Hoechst-IR detects necrosis by binding extracellular DNA released from necrotic cells and was able to image necrosis generated from a myocardial infarction and lipopolysaccharide/D-galactosamine (LPS-GalN) induced sepsis.
• WADA, MASAO;NAKAI, HIDEO;SATO, YASUHIKO;HATANAKA, YASUMARU;KANAOKA, YUICH+, CHEM. AND PHARM. BULL., 1983, 31, N 2, 429-435
  作者：WADA, MASAO、NAKAI, HIDEO、SATO, YASUHIKO、HATANAKA, YASUMARU、KANAOKA, YUICH+

  DOI：——

  日期：——