(E)-Hex-2-ene-1-thiol | 89222-69-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醇
• 英文名称: (E)-Hex-2-ene-1-thiol
• 英文别名: Hex-2-ene-1-thiol
• CAS: 89222-69-5
• 化学式: C₆H₁₂S
• 分子量: 116.227
• InChiKey: IBJYDDRLPDHAQX-SNAWJCMRSA-N

物化性质

• 沸点：
  151.7±9.0 °C(Predicted)
• 密度：
  0.859±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  7
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (E)-Hex-2-ene-1-thiol 在 lithium hydroxide 、 potassium tert-butylate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 6.0h， 生成 <1S-<1α,2α(Z),3α(E),4α>>-7-<3-<(2-Hexenylthio)methyl>-7-oxabicyclo<2.2.1>hept-2-yl>-5-heptenoic acid
  参考文献：
  名称：

  9,11-Epoxy-9-homo-14-thiaprost-5-enoic acid derivatives: potent thromboxane A2 antagonists

  摘要：

  A novel bicyclic prostaglandin analogue, (1S)-[1 alpha,2 alpha(Z),3 alpha,4 alpha]-7-[3-[(hexylthio)methyl]-7- oxabicyclo [2.2.1]hept-2-yl]-5-heptenoic acid ((-)-10), and its cogeners were found to be potent antagonists at the TxA2 receptor. Compound (-)-10 was the only stereoisomer out of eight possible structures that was active. Thioether (-)-10 was 30-40-fold more potent than another TxA2 antagonist, BM 13.177, in inhibiting arachidonic acid (AA) induced aggregation of human platelet-rich plasma. Compound (-)-10 was effective (I50 = 0.5 +/- 0.4 microM) in inhibiting 9,11-azo-PGH2-induced (0.1 microgram/mL) contraction of guinea pig tracheal spirals. The bronchoconstriction in anesthetized guinea pigs induced by AA was also effectively antagonized by (-)-10 (1 mg/kg, iv); however, in this assay (-)-10 exhibited some direct agonist activity. Radioligand binding studies in washed (human) platelets revealed that (-)-10 is one of the most potent ligands for the PGH2/TxA2 receptor yet described (Kd = 1.6 +/- 0.4 nM).

  DOI：

  10.1021/jm00125a009
• 作为产物：
  描述：

  反式-2-已烯-1-醇 在 sodium hydrosulfide hydrate 、 三溴化磷 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 (E)-Hex-2-ene-1-thiol
  参考文献：
  名称：

  脂质纳米颗粒不饱和度的系统研究可改善体内 mRNA 转染

  摘要：

  脂质纳米粒子 (LNP) 代表了 mRNA 递送的领先概念。不饱和脂质在自然界中发挥着重要作用，具有 mRNA 治疗的潜力，但很难通过化学合成获得。为了系统地研究不饱和度的作用，利用模块化反应来访问由不饱和硫醇合成实现的 91 种氨基脂质库。经过体外和体内筛选，出现了可电离脂质系列 (4A3)，其中具有香茅醇基 (Cit) 外周的 4A3 核心表现最佳。我们研究了 LNP 和模型内体膜之间的相互作用，其中 4A3-Cit 表现出优于饱和脂质的脂质融合，表明其不饱和尾部促进内体逃逸。此外，4A3-Cit 通过选择性器官靶向 (SORT) 显着提高了体内 mRNA 递送效率，导致蛋白表达比亲本 LNP 增加了 18 倍。这些发现深入了解脂质不饱和如何促进 mRNA 递送，并证明脂质混合如何增强功效。

  DOI：

  10.1002/anie.202013927

文献信息

• [EN] AMIDE COMPOUND AND PLANT DISEASE CONTROL USING THE SAME<br/>[FR] COMPOSÉ D'AMIDE ET AGENT D'ÉLIMINATION D'UNE MALADIE DES PLANTES L'UTILISANT
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2009057668A1

  公开（公告）日：2009-05-07

  ABSTRACT The present invention is intended to provide a compound having an excellent controlling effect on plant diseases. An amide compound represented by the formula (1): wherein groups represented by Q, A1, G1, X1, X2, X3 and Z1 have the same meaning as defined in the description, has an excellent controlling effect on plant diseases.

  摘要 本发明旨在提供一种对植物病害具有优异控制效果的化合物。由式（1）表示的酰胺化合物：其中由Q、A1、G1、X1、X2、X3和Z1表示的基团具有与描述中定义相同的含义，对植物病害具有优异的控制效果。
• CHLOROTHIOFORMATE MANUFACTURING METHOD
  申请人：Suzuki Toshiaki

  公开号：US20110251429A1

  公开（公告）日：2011-10-13

  The present invention relates to a process for producing chlorothioformate comprising reacting an alkenyl mercaptan with phosgene in a reactor in the presence of a carboxylic acid amide in an organic solvent, characterized in that the carboxylic acid amide is preliminary charged to the reactor in an amount of 10 to 50% by weight based on the whole amount of the carboxylic acid amide, and subsequently, the compound of the formula (I), phosgene and the remaining carboxylic acid amide are charged to the reactor.

  本发明涉及一种生产氯硫甲酸酯的方法，包括在有机溶剂中，在反应器中将烯基硫醇与光气在羧酸酰胺的存在下反应，其特征在于，将羧酸酰胺预先充入反应器中，其用量为羧酸酰胺总量的10至50重量％，随后，将式（I）化合物、光气和剩余的羧酸酰胺充入反应器。
• [EN] LANTHIONINE C-LIKE PROTEIN 2 LIGANDS, CELLS PREPARED THEREWITH, AND THERAPIES USING SAME<br/>[FR] LIGANDS DE LA PROTÉINE 2 DE TYPE LANTHIONINE C, CELLULES PRÉPARÉES AVEC CEUX-CI, ET THÉRAPIES LES UTILISANT
  申请人：LANDOS BIOPHARMA INC

  公开号：WO2021127472A1

  公开（公告）日：2021-06-24

  Provided are compounds that target the lanthionine synthetase C-like protein 2 pathway. The compounds can be used to treat a number of conditions, including autoimmune diseases, inflammatory diseases, chronic inflammatory diseases, diabetes, and infectious diseases, such as lupus, rheumatoid arthritis, type 1 diabetes, inflammatory bowel disease, viral diseases, and nonalcoholic steatohepatitis. The compounds can also be used to generate cells, such as immune cells, for treating the conditions.

  提供的是靶向兰硫氨酸合成酶C样蛋白2途径的化合物。这些化合物可用于治疗多种疾病，包括自身免疫性疾病、炎症性疾病、慢性炎症性疾病、糖尿病和传染性疾病，如狼疮、类风湿性关节炎、1型糖尿病、炎症性肠病、病毒性疾病和非酒精性脂肪肝炎。这些化合物还可用于生成细胞，如免疫细胞，以治疗这些疾病。
• NOVEL OLEFIN DERIVATIVE
  申请人：Matsumura Akira

  公开号：US20150246938A1

  公开（公告）日：2015-09-03

  The object of the present invention is to provide novel compounds having ACC2 inhibiting activity. In addition, the object of the present invention is to provide a pharmaceutical composition comprising the compound. A compound of formula (I′): wherein R 1 is substituted or unsubstituted aryl etc., R 2 is each independently hydrogen, substituted or unsubstituted alkyl etc., R 3 is each independently hydrogen, substituted or unsubstituted alkyl etc., n is an integer from 0 to 3, R 12 is hydrogen, substituted or unsubstituted alkyl etc., Ring A is aromatic carbocycle or aromatic heterocycle, R 9 is substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl etc., m is an integer from 0 to 4, R 4 and R 5 is each independently hydrogen, substituted or unsubstituted alkyl etc., R 6 is substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl etc., R 13 is hydrogen, substituted or unsubstituted alkyl etc., X 5 is bond etc., R 7 is hydrogen or substituted or unsubstituted alkyl, R 8 is substituted or unsubstituted alkylcarbonyl, substituted or unsubstituted alkenylcarbonyl etc.

  本发明的目的是提供具有ACC2抑制活性的新型化合物。此外，本发明的目的是提供包含该化合物的药物组合物。 公式(I′)的化合物： 其中R1是取代或未取代的芳基等， R2各自独立为氢，取代或未取代的烷基等， R3各自独立为氢，取代或未取代的烷基等， n是0到3的整数， R12是氢，取代或未取代的烷基等， 环A是芳香碳环或芳香杂环， R9是取代或未取代的烷基，取代或未取代的烯基等， m是0到4的整数， R4和R5各自独立为氢，取代或未取代的烷基等， R6是取代或未取代的烷基，取代或未取代的烯基等， R13是氢，取代或未取代的烷基等， X5是键等， R7是氢或取代或未取代的烷基， R8是取代或未取代的烷基碳酰，取代或未取代的烯基碳酰等。
• IMINE COMPOUND
  申请人：TAISHO PHARMACEUTICAL CO., LTD

  公开号：EP1820504A1

  公开（公告）日：2007-08-22

  An imine compound represented by the formula: wherein A represents a heterocyclic group; R1, R2, an R3 each represent a hydrogen atom, a halogen atom, a C1-10 alkyl group optionally substituted with an aryl group(s) substituted with a halogen atom (s), a C3-10 cycloalkyl group, a C1-6 haloalkyl group, a C1-10 alkoxy group, etc.; R4 represents an optionally substituted C1-10 alkyl, C2-6 alkenyl, or aryl group; R5 represents a hydrogen atom, a C1-10 alkoxy group, a C1-6 haloalkyl group, an optionally substituted C1-10 alkyl or C2-6 alkenyl group, an optionally substituted aryl or heterocyclic group, etc.; W represents -CO-, -CO-CO-, -CO-NH-, -CS-NH-, or -SO2-, or a cannabinoid-receptor agonist comprising said imine compound as an active ingredient. The imine compound of the present invention has a cannabinoid-receptor agonist effect, and is useful as a therapeutic or prophylactic drug for pains and autoimmune diseases.

  本发明的亚胺化合物的化学式为：其中A代表杂环基团；R1、R2和R3分别代表氢原子、卤原子、一个C1-10烷基基团，该基团可以选择性地被芳基基团取代，该芳基基团被卤原子取代，一个C3-10环烷基基团，一个C1-6卤代烷基基团，一个C1-10烷氧基基团等；R4代表一个可以选择性取代的C1-10烷基、C2-6烯基或芳基基团；R5代表一个氢原子、一个C1-10烷氧基基团、一个C1-6卤代烷基基团、一个可以选择性取代的C1-10烷基或C2-6烯基基团、一个可以选择性取代的芳基或杂环基团等；W代表-CO-、-CO-CO-、-CO-NH-、-CS-NH-或-SO2-，或者一种包含上述亚胺化合物作为活性成分的大麻素受体激动剂。本发明的亚胺化合物具有大麻素受体激动剂效应，并且可用作治疗或预防疼痛和自身免疫疾病的药物。