cesium isobutyrate

• 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
• 英文名称: cesium isobutyrate
• 英文别名: cesium;2-methylpropanoate
• 化学式: C₄H₇O₂*Cs
• 分子量: 220.004
• InChiKey: WBFFPXMBHRORHY-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.6
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  40.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  21-bromo-16α,17-[(R)-cyclohexylmethylenedioxy]-11β-hydroxypregna-1,4-dien-3,20-dione 、 cesium isobutyrate 以 N-甲基吡咯烷酮 为溶剂， 反应 5.0h， 生成 环索奈德
  参考文献：
  名称：

  NOVEL METHOD FOR MANUFACTURING OF CICLESONIDE

  摘要：

  该发明涉及一种用于制备皮质类固醇环索尼德的过程，用于治疗呼吸道疾病，其具有纯的外消旋形式，化学式为1：

  公开号：

  US20130225804A1

文献信息

• AMINO TRICYCLIC-NUCLEOSIDE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE
  申请人：Keicher Jesse Daniel

  公开号：US20090062223A1

  公开（公告）日：2009-03-05

  Provided are compounds of Formula (I) or a pharmaceutically acceptable salt or solvate thereof. The compounds and compositions are useful for treating viral infections caused by the Flaviviridae family of viruses.

  提供的是式（I）的化合物或其药用可接受的盐或溶剂化合物。这些化合物和组合物对治疗由黄病毒科病毒引起的病毒感染有用。
• Amino Acid Derivatives as Palmitoylethanolamide Prodrugs: Synthesis, In Vitro Metabolism and In Vivo Plasma Profile in Rats
  作者：Federica Vacondio、Michele Bassi、Claudia Silva、Riccardo Castelli、Caterina Carmi、Laura Scalvini、Alessio Lodola、Valentina Vivo、Lisa Flammini、Elisabetta Barocelli、Marco Mor、Silvia Rivara

  DOI：10.1371/journal.pone.0128699

  日期：——

  Palmitoylethanolamide (PEA) has antinflammatory and antinociceptive properties widely exploited in veterinary and human medicine, despite its poor pharmacokinetics. Looking for prodrugs that could progressively release PEA to maintain effective plasma concentrations, we prepared carbonates, esters and carbamates at the hydroxyl group of PEA. Chemical stability (pH 7.4) and stability in rat plasma and liver homogenate were evaluated by in vitro assays. Carbonates and carbamates resulted too labile and too resistant in plasma, respectively. Ester derivatives, prepared by conjugating PEA with various amino acids, allowed to modulate the kinetics of PEA release in plasma and stability in liver homogenate. L-Val-PEA, with suitable PEA release in plasma, and D-Val-PEA, with high resistance to hepatic degradation, were orally administered to rats and plasma levels of prodrugs and PEA were measured at different time points. Both prodrugs showed significant release of PEA, but provided lower plasma concentrations than those obtained with equimolar doses of PEA. Amino-acid esters of PEA are a promising class to develop prodrugs, even if they need further chemical optimization.

  棕榈酰乙醇胺（PEA）具有抗炎和镇痛特性，在兽医和人类医学中得到广泛应用，尽管其药代动力学特性不佳。为了寻找能够逐步释放PEA以维持有效血浆浓度的前药，我们制备了在PEA的羟基上的碳酸盐、酯和氨基甲酸酯。通过体外试验评估了这些化合物的化学稳定性（pH 7.4）以及在鼠血浆和肝匀浆中的稳定性。碳酸盐和氨基甲酸酯在血浆中分别表现出过于不稳定和过于稳定。通过将PEA与各种氨基酸结合制备的酯衍生物，能够在血浆中调节PEA的释放动力学并在肝匀浆中稳定存在。L-Val-PEA在血浆中具有适当的PEA释放，而D-Val-PEA对肝脏降解具有较高的抵抗性，两者均通过口服给予大鼠，并在不同时间点测量了血浆中前药和PEA的水平。两种前药均显示了显著的PEA释放，但提供的血浆浓度低于等摩尔剂量的PEA。PEA的氨基酸酯类是一类有前景的前药开发类别，尽管它们需要进一步的化学优化。
• 2-AMINO-2-PHENYL-ALKANOL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：Pachot Jean

  公开号：US20090197924A1

  公开（公告）日：2009-08-06

  2-amino-2-phenyl-alkanol ester derivatives of general formula (I) in which: R 1 is H, straight or branched 1 to 4C alkyl, straight or branched 2 to 4C alkyl substituted by OH, alkoxy, alkylthio, acyloxy, NH2, alkylamino, dialkylamino, alkylcarbamoyloxy, alkoxycarbonylamino, ureido or alkylureido, R 2 is a —CO—R radical in which R is H, alkyl, aryl, heterocyclyl, benzyl or heterocyclylmethyl, or R 2 is a —CO—Y—R 4 radical for which Y is —O—, —S—, —NH—, -Nalk- for which alk is straight or branched (1 to 4C) alkyl, and R 4 is alkyl, aryl, aralkyl or heterocyclylalkyl, capable of being substituted by one or more halogen atoms or OH radicals, straight or branched (1 to 4C) alkyl, alkoxy, alkylthio, acylaminoalkylthio, alkoxycarbonyl or acylamino (1 to 4C) straight or branched, or oxo, or capable of being substituted by R 5 COO— in which R 5 is alkyl optionally substituted by benzyloxycarbonylamino, acylamino or by an amino acid residue, or represents an heterocyclyl radical, or R 2 is alkyl (2 to 4C) substituted by OH, alkoxy, alkylthio, acyloxy, NH2, alkylamino, dialkylamino optionally forming, with the nitrogen atom to which they are attached, a 5- or 6-member heterocycle optionally having another heteroatom (O or N), or substituted by alkylcarbamoyloxy, alkoxycarbonylamino, ureido or alkylureido, it being understood that said straight or branched substituted alkyl radical comprises at least 2C between >N—R 2 and the substituent; and R 3 is alkyl (1 to 4C) straight or branched unless specifically mentioned, alkyl or acyl are straight or branched (1 to 7C), in their R or S forms or their mixtures, as well as their pharmaceutically acceptable salts when these exist.

  通用公式（I）中的2-氨基-2-苯基-烷醇酯衍生物，其中：R1为H，直链或支链1至4碳原子的烷基，直链或支链2至4碳原子的烷基，被OH、烷氧基、烷基硫基、酰氧基、NH2、烷基氨基、二烷基氨基、烷基氨基甲酰氧基、烷氧羰基氨基、脲基或烷基脲基取代，R2为—CO—R基团，其中R为H、烷基、芳基、杂环烷基、苄基或杂环烷基甲基，或R2为—CO—Y—R4基团，其中Y为—O—、—S—、—NH—、-N烷-，其中烷为直链或支链（1至4碳原子）烷基，R4为烷基、芳基、芳基烷基或杂环烷基烷基，可被一个或多个卤素原子或OH基取代，直链或支链（1至4碳原子）烷基、烷氧基、烷基硫基、酰氨基烷基硫基、烷氧羰基或酰氨基（1至4碳原子）直链或支链，或氧代，或可被R5COO—取代，其中R5为烷基，可选择地被苄氧羰氨基、酰氨基或氨基酸残基取代，或表示杂环基，或R2为烷基（2至4碳原子）被OH、烷氧基、烷基硫基、酰氧基、NH2、烷基氨基、二烷基氨基取代，可选择地与其连接的氮原子形成5-或6-成员杂环，该杂环可含有另一杂原子（O或N），或被烷基氨基氧基、烷氧羰基氨基、脲基或烷基脲基取代，理解所述的直链或支链取代烷基基团在>N—R2和取代基之间至少包含2个碳原子；R3为烷基（1至4碳原子）直链或支链，除非另有具体说明，烷基或酰基为直链或支链（1至7碳原子），以其R或S形式或其混合形式存在，以及它们的药学上可接受的盐（如果存在的话）。
• Carbon dioxide utilization via carbonate-promoted C–H carboxylation
  作者：Aanindeeta Banerjee、Graham R. Dick、Tatsuhiko Yoshino、Matthew W. Kanan

  DOI：10.1038/nature17185

  日期：2016.3

  Using carbon dioxide (CO2) as a feedstock for commodity synthesis is an attractive means of reducing greenhouse gas emissions and a possible stepping-stone towards renewable synthetic fuels. A major impediment to synthesizing compounds from CO2 is the difficulty of forming carbon–carbon (C–C) bonds efficiently: although CO2 reacts readily with carbon-centred nucleophiles, generating these intermediates

  使用二氧化碳 (CO2) 作为商品合成的原料是减少温室气体排放的一种有吸引力的方法，并且可能是迈向可再生合成燃料的垫脚石。从 CO2 合成化合物的一个主要障碍是难以有效地形成碳 - 碳 (C-C) 键：虽然 CO2 很容易与以碳为中心的亲核试剂反应，但生成这些中间体需要高能试剂（例如高还原性金属或强有机碱）、碳-杂原子键或相对酸性的碳-氢（C-H）键。这些要求否定了使用 CO2 作为底物的环境效益，并将化学物质限制为低容量目标。在这里，我们展示了含有铯或钾阳离子的中温（200 至 350 摄氏度）熔盐使碳酸根离子（CO32-）能够去质子化非常弱的酸性 C-H 键（pKa > 40），产生以碳为中心的亲核试剂与 CO2 形成羧酸盐。为了说明潜在的应用，我们使用 C–H 羧化和质子化将 2-呋喃酸转化为呋喃-2,5-二羧酸 (FDCA)——一种非常理想的生物基原料，具有多种应用，包括聚乙烯的合成呋喃二甲酸酯
• NOVEL METHOD FOR MANUFACTURING OF CICLESONIDE
  申请人：PUDER Carsten

  公开号：US20130225804A1

  公开（公告）日：2013-08-29

  The invention relates to a process for preparing the corticosteroid ciclesonide, used for the treatment of respiratory complaints, in epimerically pure form of formula 1:

  该发明涉及一种用于制备皮质类固醇环索尼德的过程，用于治疗呼吸道疾病，其具有纯的外消旋形式，化学式为1：