2-二异丙基氨基乙烷硫醇盐酸盐 | 41480-75-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-二异丙基氨基乙烷硫醇盐酸盐
• 英文名称: diisopropyl(2-mercaptoethyl)ammonium chloride
• 英文别名: 2-(diisopropylamino)ethanethiol hydrochloride；N,N-diisopropyl-2-aminoethanethiol hydrochloride；iPiPSH；2-diisopropylaminoethanethiol hydrochloric acid salt；2-[di(propan-2-yl)amino]ethanethiol;hydron;chloride
• CAS: 41480-75-5
• 化学式: C₈H₂₀NS*Cl
• 分子量: 197.772
• InChiKey: UTPHRZRWMXLNIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.69
• 重原子数：
  11
• 可旋转键数：
  4
• 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：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-氯-1-(4-氯苯基)-1H-吡唑并[3,4-d]嘧啶 、 2-二异丙基氨基乙烷硫醇盐酸盐 在 三乙胺 作用下， 以 乙醇 为溶剂， 生成 {2-[1-(4-chloro-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl]-ethyl}-diisopropyl-amine
  参考文献：
  名称：

  Pyrazolopyrimidines

  摘要：

  小说氨基磷酸嘌呤和吡唑嘧啶化合物可用于抑制动物血小板聚集。

  公开号：

  US04139705A1
• 作为产物：
  描述：

  二异丙氨基乙基氯盐酸盐 在 硫脲 作用下， 生成 2-二异丙基氨基乙烷硫醇盐酸盐
  参考文献：
  名称：

  (2-Hydroxyethyl)diisopropylammonium chloride and its derivatives

  摘要：

  The crystal structure of the title compound, C8H20NO+. Cl-, (I), and the structures of its derivatives, (2-chloroethyl)diisopropylammonium chloride, C8H19ClN+. Cl-, (II), and diisopropyl(2-mercaptoethyl)ammonium chloride, C8H20NS+. Cl- (III), are described. The conformations of the isopropyl groups in (II) (gauche-gauche) are different from those in (I) and (III) (both gauche-trans). The structures are stabilized by hydrogen bonds of the type Y-H ... Cl (Y = N, O, S) and C-H ... X (X = Cl, S).

  DOI：

  10.1107/s010827019900356x

文献信息

• TETRACYCLIC COMPOUND
  申请人：Kinoshita Kazutomo

  公开号：US20120083488A1

  公开（公告）日：2012-04-05

  A compound represented by the general Formula (I) below, or a salt or solvate thereof, which is useful as an ALK inhibitor, and is useful for prophylaxis or treatment of a disease accompanied by abnormality in ALK, for example, cancer, cancer metastasis, depression or cognitive function disorder: (meanings of the symbols that are included in the formula are as given in the specification).

  一种由下面的一般式（I）表示的化合物，或其盐或溶剂化物，可用作ALK抑制剂，对于伴有ALK异常的疾病的预防或治疗是有用的，例如癌症、癌症转移、抑郁症或认知功能障碍（方程式中包含的符号的含义如规范中所述）。
• New pleuromutilin derivatives with enhanced antimicrobial activity. I. Synthesis.
  作者：HELMUT EGGER、HELLMUTH REINSHAGEN

  DOI：10.7164/antibiotics.29.915

  日期：——

  A series of new derivatives of the antibiotic pleuromutilin, produced by some Basidiomycetes, was synthesized by chemical modification of natural pleuromutilin. Most of them contain basic functional groups in the side chain at C14 of the mutilin skeleton. The monotosylate of pleuromutilin was used as a versatile intermediate for displacement by N-, O- and S-nucleophiles.

  一些担子菌所产生的一系列的抗生素截短菌素的新的衍生物，通过对天然截短菌素进行化学修饰而合成了。多数衍生物在其截短菌素骨架的C14位上的侧链中含有一个碱性功能团。截短菌素的单对甲苯磺酸盐被用作一种通用的中间体，可通过N-、O-和S-亲核试剂来取代。
• Nonquaternary cholinesterase reactivators. Dialkylaminoalkyl thioesters of .alpha.-ketothiohydroximic acids as reactivators of diisopropyl phosphorofluoridate-inhibited acetylcholinesterase
  作者：Richard A. Kenley、Robert A. Howd、Carol W. Mosher、John S. Winterle

  DOI：10.1021/jm00142a003

  日期：1981.10

  acid thioesters and evaluated them in vitro with respect to their ability to reactivate (diisopropylphosphoryl)acetylcholinesterase. The compounds conform to the general formula RC(=O)C(=NOH)S(CH2)nNR2'.HCl, where R = CH3, C6H5, 4-CH3OC6H4, 4-NO2C6H4; n = 2, 3; and R' = CH3, C2H5, or i-C3h7. We also prepared 4-BrC6H4C(=NOH)S(CH2)2N(C2H5)2.HCl and 4-CH3OC6H4C(=O)C(=NOH)S(CH2)2N(C2H5)2.CH3I for comparison

  我们已经制备了一系列的α-酮硫代氢肟酸硫酯，并在体外评估了它们重新活化（二异丙基磷酰基）乙酰胆碱酯酶的能力。所述化合物符合通式RC（＝ O）C（＝ NOH）S（CH 2）n NR 2'.HCl，其中R ＝ CH 3，C 6 H 5，4-CH 3 OC 6 H 4，4-NO 2 C 6 H 4。n = 2、3；并且R'= CH3，C2H5或i-C3h7。我们还制备了4-BrC6H4C（= NOH）S（CH2）2N（C2H5）2.HCl和4-CH3OC6H4C（= O）C（= NOH）S（CH2）2N（C2H5）2.CH3I进行比较。α-酮硫代氢氧酸酯的肟酸解离常数（pKa）在6.9至8.4范围内，pKa = 7.9，被认为是乙酰胆碱酯酶重新活化的最佳选择。这些化合物也是良好的亲核试剂。与对硝基苯乙酸酯反应的双分子速率常数（kn）遵循表达式log（kn）= 6.7-0。在25°C，pH 7.6、1
• Tetracyclic compound
  申请人：Kinoshita Kazutomo

  公开号：US09126931B2

  公开（公告）日：2015-09-08

  A compound represented by the general Formula (I) below, or a salt or solvate thereof, which is useful as an ALK inhibitor, and is useful for prophylaxis or treatment of a disease accompanied by abnormality in ALK, for example, cancer, cancer metastasis, depression or cognitive function disorder: (meanings of the symbols that are included in the formula are as given in the specification).

  以下是一种由通式(I)表示的化合物，或其盐或溶剂化物。该化合物有助于抑制ALK，并且有助于预防或治疗伴随ALK异常的疾病，例如癌症、癌症转移、抑郁症或认知功能障碍。（符号的含义如规范中所述）。
• Differentially Fluorescent Yeast Biosensors for the Detection and Biodegration of Chemical Agents
  申请人：Guild Associates, Inc.

  公开号：EP2441834A1

  公开（公告）日：2012-04-18

  The present disclosure relates to an isolated organophosphorus hydrolase comprising a specific amino acid sequence as shown in SEQ ID NO:76.

  本公开涉及一种分离的有机磷水解酶，其包含如 SEQ ID NO:76 所示的特定氨基酸序列。

表征谱图