2-dibutylamino-ethanethiol | 5842-08-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-dibutylamino-ethanethiol
• 英文别名: 2-(dibutylamino)ethane-1-thiol；2--ethanthiol；2-Dibutylamino-ethylmercaptan；2-(Dibutylamino)ethanethiol
• CAS: 5842-08-0
• 化学式: C₁₀H₂₃NS
• 分子量: 189.365
• InChiKey: LOJUMTFVTNJLTF-UHFFFAOYSA-N

物化性质

• 沸点：
  74-75 °C(Press: 2 Torr)
• 密度：
  0.8664 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  4.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-dibutylamino-ethanethiol 在 氯仿 、 sodium methylate 作用下， 生成 4-nitro-benzoic acid-[2-(2-dibutylamino-ethylsulfanyl)-ethylamide]
  参考文献：
  名称：

  含硫胺；局部麻醉药。

  摘要：

  DOI：

  10.1021/ja01183a018
• 作为产物：
  描述：

  S-(2-dibutylamino-ethyl)-isothiourea, dihydrochloride 在 sodium hydroxide 作用下， 生成 2-dibutylamino-ethanethiol
  参考文献：
  名称：

  含硫胺；局部麻醉药。

  摘要：

  DOI：

  10.1021/ja01183a018

文献信息

• [EN] LIPOCATIONIC POLYMERS AND USES THEREOF<br/>[FR] POLYMÈRES LIPOCATIONIQUES ET LEURS UTILISATIONS
  申请人：UNIV TEXAS

  公开号：WO2016094342A1

  公开（公告）日：2016-06-16

  Polymers produced by ring opening polymerization which comprises an amino group that can be used in compositions to deliver a nucleic acid such as a miRNA or a siRNA. In some embodiments, compositions which comprise the polymers described herein and a nucleic acid are also provided herein. In some embodiments, these compositions are used to silence one or more genes in vivo or treat a disease or disorder.

  通过环氧聚合产生的聚合物，其中包含可以用于将核酸如miRNA或siRNA传递到组合物中的氨基团。在某些实施例中，还提供了包括所述聚合物和核酸的组合物。在某些实施例中，这些组合物被用于在体内沉默一个或多个基因或治疗疾病或紊乱。
• ‘3+1' Mixed-Ligand Oxotechnetium(V) Complexes with Affinity for Melanoma:  Synthesis and Evaluation in Vitro and in Vivo
  作者：Matthias Friebe、Ashfaq Mahmood、Hartmut Spies、Ralf Berger、Bernd Johannsen、Ashour Mohammed、Michael Eisenhut、Cristina Bolzati、Alan Davison、Alun G. Jones

  DOI：10.1021/jm000050e

  日期：2000.7.1

  '3+1' Mixed-ligand [Tc-99m]oxotechnetium complexes with affinity for melanoma were synthesized in a one-pot reaction. Complexation of technetium-99m with a mixture of N-R(3-azapentane-1,5-dithiol) [R = Me, Pr, Bn, Et2N(CH2)(2)] and N-(2-dialkylamino)ethanethiol [alkyl = X = Et, Bu, morpholinyl] using Sn2+ as the reducing agent resulted in the formation of '3+1' mixed-ligand technetium-99m complexes [TcO(SN(R)S)(SNX2)] in high radiochemical yield (60-98%). In vitro uptake studies in B16 murine melanoma cells indicated a moderate tumor-cell accumulation (40%) of compound 1 [R = Me, X = Et] and a higher accumulation (69%) of compound 2 [R = Me, X = Bu] after a 60-min incubation. In vivo evaluation of compounds 1-6 in the C57B16/B16 mouse melanoma model demonstrated tumor localization. Compound 2 displayed the highest accumulation with up to 5% ID/g at 60 min after injection. In vivo, 2 also showed a low blood-pool activity and high melanoma/spleen (4.3) and melanoma/lung (1.9) ratios at 1 h. These results suggest that small technetium-99m complexes could be useful as potential melanoma-imaging agents.

  **'3+1'型杂配位体[Tc-99m]氧肟technetium复合物的合成及其对黑色素瘤的靶向性研究** 在一步锅法反应中，成功合成了一种对黑色素瘤具有亲和力的'3+1'型杂配位体 [Tc-99m]oxotechnetium 复合物。通过将 technetium-99m 与 N-R（3-氮杂戊烷-1,5-二硫醇）[R = Me, Pr, Bn, Et2N(CH2)2] 和 N-(2-双烷基氨基)乙烷硫醇 [烷基 = X = Et, Bu, 吗啉基] 的混合物中的 technetium-99m 复合，并使用 Sn²+ 作为还原剂，最终形成了'3+1'型杂配位体 technetium-99m 复合物 [TcO(SN(R)S)(SNX2)]，其放射化学产率高达 60-98% 。 体外实验中，利用 B16 小鼠黑色素瘤细胞进行的摄取研究表明，化合物 1 [R = Me, X = Et] 在60 分钟孵育后的肿瘤细胞积聚量为 40%，而化合物 2 [R = Me, X = Bu] 则达到了 69% 的较高积聚量。在 C57B16/B16 小鼠黑色素瘤模型中，对化合物 1-6 进行的体内评估显示，这些化合物均表现出肿瘤定位能力。其中，化合物 2 在注射后60 分钟内达到最高的积聚量，为 5% ID/g 。 进一步的体内研究表明，化合物 2 在1 小时时表现出较低的血液活性，并且其黑色素瘤/脾脏（4.3）和黑色素瘤/肺（1.9）比值显著升高。这些结果表明，小巧的 technetium-99m 复合物有望成为潜在的黑色素瘤成像剂。
• Neutral ‘3 + 1’ mixed-ligand oxorhenium(V) complexes with tridentate [S,N,S] chelates and aminoalkanethiols: synthesis, characterization and structure determination ‡
  作者：Matthias Friebe、Hartmut Spies、Wilhelm Seichter、Peter Leibnitz、Bernd Johannsen

  DOI：10.1039/b001600o

  日期：——

  ‘3 + 1’ Oxorhenium(V) complexes [ReO(SN(R′)S)(SR)] (R′ = Me, Et, Pr or Bu; SR = aminoalkane thiolate) have been synthesized by ligand exchange at trans-trichloromonooxo-bis(triphenylphosphine)rhenium(V) with a mixture of HSN(R′)SH and RSH in alkaline methanolic solution. The complexes were purified by column chromatography and characterized by elemental analysis, mass and IR spectroscopy and for selected compounds by 1H NMR spectroscopy. The structures of those complexes have been determined by X-ray diffraction analysis and revealed a change in the co-ordination geometry from square pyramidal to trigonal bipyramidal, depending on the chelating (SN(R′)S) moiety. The alkyl group (R′) was found to be arranged “syn” to the oxorhenium group.

  �3+1�氧铼(V)络合物[ReO(SN(R�2)S)(SR)]（R�2=Me、Et、Pr或Bu；SR=氨基烷硫醇盐）通过反式三氯单氧代-双(三苯基膦)铼(V)与HSN(R-)SH和RSH的混合物在碱性甲醇溶液中的配体交换合成。通过柱色谱法纯化络合物，并通过元素分析、质谱和红外光谱进行表征，并通过 1 H NMR 光谱对选定的化合物进行表征。这些配合物的结构已通过 X 射线衍射分析确定，并揭示了配位几何形状从方锥体到三角双锥体的变化，具体取决于螯合 (SN(R−)S) 部分。发现烷基(R-2)与氧铼基团排列成-syn-。
• Omega-quaternary ammonium alkyl esters and thioesters of acidic nonsteroidal antiinflammatory drugs
  申请人：SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED

  公开号：EP0289262A2

  公开（公告）日：1988-11-02

  Quaternary ammonium alkyl esters and thioesters of acidic nonsteroidal anti-inflammatory drugs (NSAIDs) are disclosed. These esters and thioesters display the anti-­inflammatory profile of the parent NSAIDs with greatly reduced gastrointestinal irritancy, providing a more favorable separation of therapeutic activity and toxicological side effects than the parent NSAIDs.

  本发明公开了酸性非甾体抗炎药（NSAIDs）的季铵烷基酯和硫代酯。这些酯类和硫代酯类具有母体非甾体抗炎药的抗炎特性，但胃肠道刺激性大大降低，与母体非甾体抗炎药相比，能更有效地将治疗活性和毒副作用分开。
• PHTHALOCYANINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND OPTICAL RECORDING MEDIUM CONTAINING THE SAME
  申请人：MITSUI CHEMICALS, INC.

  公开号：EP1482013A1

  公开（公告）日：2004-12-01

  A phthalocyanine compound represented by the following general formula (I) and the mixture thereof, and an optical recording medium containing the compound/mixture in its recording layer. wherein in formula (I), M is two hydrogen atoms, a divalent metal atom, a mono-substituted trivalent metal atom, a di-substituted tetravalent metal atom, or an oxymetal, and L1, L2, L3 and L4 are each independently formula (a), formula (b), or formula (c) : in formula (a), formula (b), and formula (c), X represents a substituted or unsubstituted alkyl group, alkoxy group, alkylthio group, aryloxy group, and arylthio group, Rs are each independently a hydrogen atom, a substituted or unsubstituted alkyl group with 1-6 of total carbon numbers, a substituted or unsubstituted aryl group with 6-10 of total carbon numbers, A represents a carbonyl group, a thiocarbonyl group, a sulfone group, a sulfine group, or a carboimidoyl group, Y represents a metal compound residue, and Z represents independently a hydrogen atom, a nitro group, or a halogen atom, and at least one of L1-L4 is formula (a) or (b).

  由以下通式(I)表示的酞菁化合物及其混合物，以及在其记录层中含有该化合物/混合物的光学记录介质。 其中，在式 (I) 中，M 是两个氢原子、二价金属原子、一取代三价金属原子、二取代四价金属原子或氧金属；L1、L2、L3 和 L4 各自独立地为式 (a)、式 (b) 或式 (c) ： 在式(a)、式(b)和式(c)中，X 代表取代或未取代的烷基、烷氧基、烷硫基、芳氧基和芳硫基，Rs 各自独立地为氢原子、总碳数为 1-6 的取代或未取代的烷基、A 代表羰基、硫代羰基、砜基、硫基或羧酰亚胺基，Y 代表金属化合物残基，Z 独立地代表氢原子、硝基或卤素原子，L1-L4 中至少有一个是式 (a) 或 (b)。