2-((3-methyloxetan-3-yl)methylthio)ethanol | 1431374-10-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环丁烷
• 英文名称: 2-((3-methyloxetan-3-yl)methylthio)ethanol
• 英文别名: 2-[[(3-Methyl-3-oxetanyl)methyl]thio]ethanol；2-[(3-methyloxetan-3-yl)methylsulfanyl]ethanol
• CAS: 1431374-10-5
• 化学式: C₇H₁₄O₂S
• 分子量: 162.253
• InChiKey: BRBWCJCJBVSHGO-UHFFFAOYSA-N

物化性质

• 沸点：
  274.3±10.0 °C(Predicted)
• 密度：
  1.111±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  54.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-((3-methyloxetan-3-yl)methylthio)ethanol 在 sodium periodate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 8.0h， 生成
  参考文献：
  名称：

  WO2023/125935

  摘要：

  公开号：
• 作为产物：
  描述：

  3 - 甲基-3-（对甲苯磺酰氧基甲基）环氧丙烷 在 lithium aluminium tetrahydride 、 potassium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 2-((3-methyloxetan-3-yl)methylthio)ethanol
  参考文献：
  名称：

  [EN] ETHER COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS
  [FR] COMPOSÉS D'ÉTHER POUR LE TRAITEMENT DE TROUBLES IMMUNITAIRES ET INFLAMMATOIRES

  摘要：

  提供包含公式I、I"和I‴的补体因子D抑制剂、使用方法和制备过程，或者包含药用可接受盐或其组合物。本文所述的抑制剂针对因子D并抑制或调节补体级联反应。本文所述的因子D抑制剂减少了补体的过度激活。

  公开号：

  WO2017035411A1

文献信息

• [EN] PRODRUGS OF KETAMINE, COMPOSITIONS AND USES THEREOF<br/>[FR] PROMÉDICAMENTS À BASE DE KÉTAMINE, COMPOSITIONS ET UTILISATIONS DE CEUX-CI
  申请人：XW LAB INC

  公开号：WO2019137381A1

  公开（公告）日：2019-07-18

  Provided are prodrugs of (S) -or (R) -ketamine, including isotopically labeled ketamine,composition and uses thereof. Compounds having formula (Ia) or (Ib) as the prodrugs of (S) -or (R) -ketamine, including isotopically labeled ketamine, and pharmaceutical compositions comprising the compounds provided herein are used for treating or preventing a CNS disease.More particularly, the related diseases include depression and pain. (Ia) (Ib)

  提供了（S）-或（R）-氯胺酮的前药，包括同位素标记的氯胺酮，其组成和用途。具有化学式（Ia）或（Ib）的化合物作为（S）-或（R）-氯胺酮的前药，包括同位素标记的氯胺酮，以及包含本文提供的化合物的药物组合物用于治疗或预防中枢神经系统疾病。更具体地，相关疾病包括抑郁症和疼痛。（Ia）（Ib）
• [EN] BIFUNCTIONAL COMPOUNDS<br/>[FR] COMPOSÉS BIFONCTIONNELS
  申请人：UNIV PITTSBURGH

  公开号：WO2013059651A1

  公开（公告）日：2013-04-25

  A compound having the formula (I) wherein X is S, SO or SO2; one of R1, R2, and R3 is O and the others of R1, R2 and R3 are independently, the same or different, CH2, or CR13 wherein, R13 is an alkyl group, an alkenyl group, an alkynyl group, a trialkylsilyl group, or -(CH2)mOR15, wherein R15 is an alkyl group or an aryl group and m is an integer in the range of 1 to 10, and one of R5, R6, and R7 is O and the others of R5, R6 and R7 are independently, the same or different, CH2, or CR14 wherein, R14 is an alkyl group, an alkenyl group, an alkynyl group, a trialkylsilyl group, or -(CH2)nOR16, wherein R16 is an alkyl group or an aryl group and n is an integer in the range of 1 to 10; R4 and R8 are independently, the same or different, H, an alkyl group, an alkenyl group, an alkynyl group, an aryl group, a heteroaryl group, a C1-C3 alkoxy group, an aryloxy group, or -(CH2)qOR17, wherein R17 is an alkyl group or an aryl group and q is an integer in the range of 1 to 10, provided that R4 is not a C1-C3 alkoxy group or an aryloxy group when R1 or R3 is O and R8 is not a C1-C3 alkoxy group or an aryloxy group when R5 or R7 is O; R9, R10, R11 and R12 are independently, the same or different, H, an alkyl group, an alkenyl group, an alkynyl group, or an aryl group.

  化合物的化学式为（I），其中X为S、SO或SO2；R1、R2和R3中的一个为O，而R1、R2和R3中的其他基团独立地相同或不同，为CH2或CR13，其中R13为烷基、烯基、炔基、三烷基硅基或-( )mOR15，其中R15为烷基或芳基，m为1到10的整数；R5、R6和R7中的一个为O，而R5、R6和R7中的其他基团独立地相同或不同，为 或CR14，其中R14为烷基、烯基、炔基、三烷基硅基或-( )nOR16，其中R16为烷基或芳基，n为1到10的整数；R4和R8独立地相同或不同，为H、烷基、烯基、炔基、芳基、杂芳基、C1-C3烷氧基、芳氧基或-( )qOR17，其中R17为烷基或芳基，q为1到10的整数，但当R1或R3为O时，R4不为C1-C3烷氧基或芳氧基，当R5或R7为O时，R8不为C1-C3烷氧基或芳氧基；R9、R10、R11和R12独立地相同或不同，为H、烷基、烯基、炔基或芳基。
• [EN] COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR PROTEIN<br/>[FR] COMPOSÉS ET PROCÉDÉS POUR LA DÉGRADATION CIBLÉE DE PROTÉINE DU RÉCEPTEUR DES ANDROGÈNES
  申请人：ARVINAS OPERATIONS INC

  公开号：WO2022087125A1

  公开（公告）日：2022-04-28

  Bifunctional compounds, which find utility as modulators of androgen receptor (AR), are described herein. In particular, the bifunctional compounds of the present disclosure contain on one end a moiety that binds to the cereblon E3 ubiquitin ligase and on the other end a moiety which binds AR, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The bifunctional compounds of the present disclosure exhibit a broad range of pharmacological activities associated with degradation/inhibition of target protein. Diseases or disorders that result from aberrant regulation of the target protein are treated or prevented with compounds and compositions of the present disclosure.

  本文描述了具有雄激素受体（AR）调节剂作用的双功能化合物。特别是，本公开的双功能化合物在一端含有结合到cereblon E3泛素连接酶的基团，在另一端含有结合到AR的基团，使得目标蛋白质靠近泛素连接酶以降解（和抑制）目标蛋白质。本公开的双功能化合物表现出与目标蛋白质降解/抑制相关的广泛的药理活性。使用本公开的化合物和组合物治疗或预防由于目标蛋白质异常调节而导致的疾病或障碍。
• An Uncharged Oxetanyl Sulfoxide as a Covalent Modifier for Improving Aqueous Solubility
  作者：Erin M. Skoda、Joshua R. Sacher、Mustafa Z. Kazancioglu、Jaideep Saha、Peter Wipf

  DOI：10.1021/ml5001504

  日期：2014.8.14

  Low aqueous solubility is a common challenge in drug discovery and development and can lead to inconclusive biological assay results. Attaching small, polar groups that do not interfere with the bioactivity of the pharmacophore often improves solubility, but there is a dearth of viable neutral moieties available for this purpose. We have modified several poorly soluble drugs or drug candidates with the oxetanyl sulfoxide moiety of the DMSO analog MMS-350 and noted in most cases a moderate to large improvement of aqueous solubility. Furthermore, the membrane permeability of a test sample was enhanced compared to the parent compound.
• US9200035B2
  申请人：——

  公开号：US9200035B2

  公开（公告）日：2015-12-01