1,3-二氨基丙烷-N,N'-二乙酸 | 57119-37-6

• 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
• 中文名称: 1,3-二氨基丙烷-N,N'-二乙酸
• 英文名称: 1,3-propanediamine-N,N′-diacetic acid
• 英文别名: 1,3-propanediamine-N,N'-diacetatic acid；trimethylenediamine-N,N'-diacetic acid；trimethylenediamine-NN'-diacetic acid；propylenediamine-N,N'-diacetic acid；1,3-propanediylglycinic acid；N,N'-dicarboxymethyl-1,3-propanediamine；1,3-Diaminopropane-N,N'-diacetic Acid；2-[3-(carboxymethylamino)propylamino]acetic acid
• CAS: 57119-37-6
• 化学式: C₇H₁₄N₂O₄
• mdl: MFCD00142534
• 分子量: 190.199
• InChiKey: RKPHYUBLENEQNT-UHFFFAOYSA-N

物化性质

• 熔点：
  210-213 °C(Solv: ethanol (64-17-5))
• 沸点：
  419.6±40.0 °C(Predicted)
• 密度：
  1.259±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -5.6
• 重原子数：
  13
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  98.7
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,3-二氨基丙烷-N,N'-二乙酸 在 磷酸 、 三氯化磷 作用下， 以 氯仿 、 氯苯 为溶剂， 反应 26.0h， 生成
  参考文献：
  名称：

  Bifunctional bisphosphonate derivatives and platinum complexes with high affinity for bone hydroxyapatite

  摘要：

  A series of ethylenediamine/1,3-propanediamine derivatives containing bifunctional bisphosphonate substituents and their corresponding dichloroplatinum(II) complexes have been synthesized and characterized by elemental analysis, H-1 NMR, C-13 NMR, P-31 NMR, and HRMS spectra. Based on WST-8 assay with CCK-8, in general, the newly synthesized dichloroplatinum complexes 1-6 showed higher in vitro antitumor activity than platinum-free compounds L1-L6 against three tumor cell lines (especially osteosarcoma MG-63). According to hydroxyapatite binding experiment, complexes 2, 3, and 6 showed much higher affinity (K' = 3.7, 4.0, and 3.0, respectively) for bone hydroxyapatite than cisplatin (K' < 0.1), comparable to zoledronate (K' = 2.8). It can be found that representative complex 2 with high cytotoxicity and in vitro antiproliferative activity against osteosarcoma cell line, as well as promising hydroxyapatite binding ability has been screened as a potential bone-targeting antitumor agent for subsequent in vivo study. In addition, flow cytometry experiment was applied to investigate the mode of action of representative complex 2. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.12.050
• 作为产物：
  描述：

  1,3-丙二胺 、 氯乙酸 在 水铝矿 、 盐酸 作用下， 以 水 为溶剂， 生成 1,3-二氨基丙烷-N,N'-二乙酸
  参考文献：
  名称：

  Bifunctional bisphosphonate derivatives and platinum complexes with high affinity for bone hydroxyapatite

  摘要：

  A series of ethylenediamine/1,3-propanediamine derivatives containing bifunctional bisphosphonate substituents and their corresponding dichloroplatinum(II) complexes have been synthesized and characterized by elemental analysis, H-1 NMR, C-13 NMR, P-31 NMR, and HRMS spectra. Based on WST-8 assay with CCK-8, in general, the newly synthesized dichloroplatinum complexes 1-6 showed higher in vitro antitumor activity than platinum-free compounds L1-L6 against three tumor cell lines (especially osteosarcoma MG-63). According to hydroxyapatite binding experiment, complexes 2, 3, and 6 showed much higher affinity (K' = 3.7, 4.0, and 3.0, respectively) for bone hydroxyapatite than cisplatin (K' < 0.1), comparable to zoledronate (K' = 2.8). It can be found that representative complex 2 with high cytotoxicity and in vitro antiproliferative activity against osteosarcoma cell line, as well as promising hydroxyapatite binding ability has been screened as a potential bone-targeting antitumor agent for subsequent in vivo study. In addition, flow cytometry experiment was applied to investigate the mode of action of representative complex 2. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.12.050

文献信息

• NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE
  申请人：NISSAN CHEMICAL INDUSTRIES. LTD.

  公开号：US20160264520A1

  公开（公告）日：2016-09-15

  To provide a novel diamine, and a polyimide precursor and a polyimide using it. A diamine represented by the formula (1): wherein each of X 1 and X 5 which are independent of each other, is a single bond or the like; each of X 2 and X 4 which are independent of each other, is —CH 2 — or the like; X 3 is a C 1-6 alkylene or the like; each of Y 1 and Y 2 which are independent of each other, is a single bond or the like; R is a C 1-20 linear, branched or cyclic hydrocarbon group; and a is 0 or 1).

  提供一种新颖的二胺，以及使用它的聚酰亚胺前体和聚酰亚胺。一种由式（1）表示的二胺：其中X1和X5中的每一个独立的，是单键或类似物；X2和X4中的每一个独立的，是—CH2—或类似物；X3是C1-6烷基或类似物；Y1和Y2中的每一个独立的，是单键或类似物；R是C1-20线性、支链或环烃基；a为0或1。
• Crystal structure, configurational and density functional theory analysis of nickel(II) complexes with pentadentate 1,3-pd3a-type ligands
  作者：Svetlana Belošević、Marina Ćendić、Maja Djukić、Miorad Vasojević、Auke Meetsma、Zoran D. Matović

  DOI：10.1016/j.ica.2013.01.014

  日期：2013.4

  obtained for similar complexes. The infra-red and electronic absorption spectra of the complexes are interpreted and compared with related complexes of known geometries. Density functional theory (DFT) has been used to model the most stable geometry isomer and Natural Energy Decomposition Analysis (NEDA) to reveal the energetic relationship of these compounds. The results from density functional studies

  OONNO型五齿配体H（3）1,3-pd3a和H（3）1,3-pd2ap（H（3）1,3-pd3a代表1,3-丙二胺-N，N，N'-三乙酸； H（3）1,3-pd2ap代表1,3-丙二胺-N，N'-二烯丙基-N-3-丙酸），并已制备并表征了相应的新型八面体镍（II）配合物。H（3）1,3-pd3a和H（3）1,3-pd2ap配体通过五个供体原子（三个去质子化的羧酸根原子和两个胺氮）与镍（II）离子配位，在所有研究的Ni情况下均提供八面体几何形状（二）配合物。八面体中的第六位已被水分子占据。晶体学上已为K [Ni（1,3-pd3a）（H2O）]中心点3H（2）O络合物建立了六坐标八面体几何形状。与相似的螯合镍（II）配合物相关的结构数据已用于广泛的应变分析。关于针对类似复合物获得的信息进行讨论。解释了配合物的红外和电子吸收光谱，并将其与已知几何形状的相关配合物进行了比较。密度泛函理论（DFT
• Tissue adhesive using synthetic crosslinking
  申请人：PROTEIN POLYMER TECHNOLOGIES, INC.

  公开号：EP1656946A1

  公开（公告）日：2006-05-17

  Proteinaceous polymers having repetitive units from naturally occurring structural proteins are employed as backbones for functionalities for cross-linking to provide strongly adherent tissue adhesives and sealants. Particularly, block copolymers of elastin and fibroin are employed having lysine substitutions in spaced apart units, where the amino group can be cross-linked using difunctional cross-linking agents.

  蛋白质聚合物具有来自天然结构蛋白质的重复单元，可用作功能性交联剂的骨架，以提供强粘附性的组织粘合剂和密封剂。特别是弹性蛋白和纤维蛋白的嵌段共聚物，在间隔的单元中具有赖氨酸取代基，其中的氨基可使用双官能团交联剂进行交联。
• Diamine, polyamic acid, and polyimide
  申请人：NISSAN CHEMICAL INDUSTRIES, LTD.

  公开号：US10023530B2

  公开（公告）日：2018-07-17

  To provide a novel diamine, and a polyimide precursor and a polyimide using it. A diamine represented by the formula (1): wherein each of X1 and X5 which are independent of each other, is a single bond or the like; each of X2 and X4 which are independent of each other, is —CH2— or the like; X3 is a C1-6 alkylene or the like; each of Y1 and Y2 which are independent of each other, is a single bond or the like; R is a C1-20 linear, branched or cyclic hydrocarbon group; and a is 0 or 1).

  提供一种新型二胺、一种聚酰亚胺前体和一种使用该二胺的聚酰亚胺。由式（1）表示的二胺： 其中相互独立的 X1 和 X5 各为单键或类似物；相互独立的 X2 和 X4 各为-CH2-或类似物；X3 为 C1-6 亚烷基或类似物；相互独立的 Y1 和 Y2 各为单键或类似物；R 为 C1-20 直链、支链或环状烃基；a 为 0 或 1）。
• Methods for treating body tissue
  申请人：Stedronsky R. Erwin

  公开号：US20060029638A1

  公开（公告）日：2006-02-09

  Methods of treating body tissue including repairing defects in body tissue as well as augmenting body tissue. Body tissue defects are repaired by injecting a polymeric adhesive composition through an injector into the region of the defect and allowing the adhesive composition to cure to repair the defect or to form an implant that adheres to at least one surface tissue in the region of the defect. Body tissue is augmented by filling a defect void with a polymeric adhesive composition and allowing it to cure.

  治疗身体组织的方法包括修复身体组织的缺陷以及增强身体组织。修复身体组织缺陷的方法是通过注射器向缺陷区域注射聚合物粘合剂组合物，并使粘合剂组合物固化，以修复缺陷或形成植入物，该植入物粘附在缺陷区域的至少一个表面组织上。用聚合物粘合剂组合物填充缺损空隙并使其固化，可增强人体组织。