sodium hexanolate | 19779-06-7

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: sodium hexanolate
• 英文别名: sodium hexan-1-olate；sodium hexoxide；1-Hexanol, sodium salt；sodium;hexan-1-olate
• CAS: 19779-06-7
• 化学式: C₆H₁₃O*Na
• 分子量: 124.158
• InChiKey: KZJZFUHYAZHJJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.07
• 重原子数：
  8
• 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：
  23.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2915900090

反应信息

• 作为反应物：
  描述：

  sodium hexanolate 在 盐酸 作用下， 以 苯 为溶剂， 生成
  参考文献：
  名称：

  Kosinskaya,I.M. et al., Journal of general chemistry of the USSR, 1976, vol. 46, p. 47 - 50

  摘要：

  DOI：
• 作为试剂：
  描述：

  油酸甲酯 、 正己醇 在 sodium hexanolate 作用下， 反应 1.5h， 生成 油酸己酯
  参考文献：
  名称：

  脂肪酸酯的熔点和粘度是工程油料的潜在目标

  摘要：

  AbstractOur previous isolation of branched‐chain fatty acid (BCFA) methyl esters from lanolin was improved and scaled up. Also, oleate esters of isopropanol, oleyl alcohol and normal alcohols of 1–12 carbons chain lengths were prepared. Esters were made by interesterification with sodium alcoholates and by esterification with Candida antarctica lipase. It proved easier to obtain pure esters by the enzymatic synthesis. Melting points and viscosities over the range of 0–70 °C were determined in order to better identify potential lubricant targets that might be produced by genetically modified oilseed crops. Isopropyl and butyl oleate have melting points of −33 and −32 °C, respectively and viscosities that range from ~17 cp (0 °C) to ~2.5 cp (70 °C). They should have suitable stability for lubricants. BCFA esters had viscosities similar to their straight chain analogs. Viscosities increased with alcohol chain length and decreased with temperature. The dependence of viscosity on temperature was fit with an equation based on Erying’s rate equation. Some esters with branched acid or branched alcohol moieties, and some oleate esters might be utilized as biolubricants or biofuels on the basis of their melting points and viscosities.

  DOI：

  10.1007/s11746-007-1159-9

文献信息

• DERIVATIVES OF RELEBACTAM AND USES THEREOF
  申请人：ARIXA PHARMACEUTICALS, INC.

  公开号：US20200102307A1

  公开（公告）日：2020-04-02

  Derivatives of relebactam, therapeutic methods of using the derivatives of relebactam, particularly in combination with β-lactam antibiotics and pharmaceutical compositions thereof are disclosed. The derivatives of relebactam are suitable for oral administration.

  Relebactam的衍生物、使用Relebactam的衍生物的治疗方法，特别是与β-内酰胺类抗生素结合使用以及其制药组合物已被披露。Relebactam的衍生物适合口服给药。
• Beta-lactamase inhibitors and uses thereof
  申请人：ARIXA PHARMACEUTICALS, INC.

  公开号：US10085999B1

  公开（公告）日：2018-10-02

  β-Lactamase inhibiting compounds, therapeutic methods of using the β-lactamase inhibiting compounds, particularly in combination with β-lactam antibiotics and pharmaceutical compositions thereof are disclosed. The β-lactamase inhibiting compounds are suitable for oral administration.

  β-内酰胺酶抑制化合物，使用β-内酰胺酶抑制化合物的治疗方法，特别是与β-内酰胺类抗生素结合以及其制药组合物被披露。这些β-内酰胺酶抑制化合物适合口服给药。
• AZTREONAM DERIVATIVES AND USES THEREOF
  申请人：ARIXA PHARMACEUTICALS, INC.

  公开号：US20190100516A1

  公开（公告）日：2019-04-04

  Disclosed herein are aztreonam derivatives, therapeutic methods of using the aztreonam derivatives, particularly in combination with β-lactamase inhibitors, and pharmaceutical compositions thereof. The aztreonam derivatives can be administered orally to provide orally bioavailable aztreonam.

  本文披露了阿特雷纳姆衍生物，使用阿特雷纳姆衍生物的治疗方法，特别是与β-内酰胺酶抑制剂结合使用的方法，以及它们的药物组成物。这些阿特雷纳姆衍生物可以口服给药，从而提供口服可利用的阿特雷纳姆。
• Studies on antitumor agents. V. Syntheses and antitumor activities of 5-fluorouracil derivatives.
  作者：JUNICHI YAMASHITA、ICHIRO YAMAWAKI、SHUICHI UEDA、MITSUGI YASUMOTO、NORIO UNEMI、SADAO HASHIMOTO

  DOI：10.1248/cpb.30.4258

  日期：——

  Six types of 5-fluorouracil (5-FU) derivatives were synthesized ; namely, 2, 4-di-O-substituted, 2-O-substituted, 4-O-substituted, 1, 3-disubstituted, 1-substituted and 3-substituted compounds. After oral administration of these compounds to rats, the blood levels of 5-FU were determined. Among O-substituted derivatives, a 4-O-substituted derivative was most easily activated to 5-FU and 2-O-substituted derivatives were next most easily activated. Among N-substituted derivatives, acyl and sulfonyl derivatives showed the highest 5-FU releasing abilities and 1-alkoxymethyl substituted derivatives showed low ability. N-Alkyl substituted derivatives were not activated to 5-FU. Several compounds which gave higher blood levels of 5-FU than that obtained with 1-(tetrahydro-2-furyl)-5-fluorouracil (Thf-FU), as well as same related compounds, were selected and their antitumor activities were examined. The 2-O-substituted derivatives, 2-butoxy-5-fluoro-4 (1H)-pyrimidone (11) and 2-benzyloxy-5-fluoro-4 (1H)-pyrimidone (19), were as effective as Thf-FU. The activities of 2, 4-di-O-substituted derivatives, 2, 4-dibutoxy-5-fluoropyrimidine (1) and 2, 4-dibenzyloxy-5-fluoropyrimidine (6), against Ehrlich carcinoma and against sarcoma 180, respectively, were the same as those of Thf-FU. The 1-substituted derivatives, 1-ethoxymethyl-5-fluorouracil (49) and 1-(1-ethoxy-1-phenylmethyl)-5-fluorouracil (50), were found to be as effective as Thf-FU.

  合成了六类氟尿嘧啶（5-FU）衍生物，即2,4-二-O-取代、2-O-取代、4-O-取代、1,3-二取代、1-取代和3-取代的化合物。在大鼠口服这些化合物后，测定了5-FU的血药浓度。在O-取代衍生物中，4-O-取代衍生物最容易被激活为5-FU，其次是2-O-取代衍生物。在N-取代衍生物中，酰基和磺酰基衍生物显示出最高的5-FU释放能力，1-烷氧甲基取代衍生物的释放能力较低。N-烷基取代衍生物未被激活为5-FU。选择了几种在血中5-FU水平高于1-(四氢-2-呋喃基)-5-氟尿嘧啶（Thf-FU）的化合物，以及一些相关化合物，并对其抗肿瘤活性进行了检测。2-O-取代衍生物，2-丁氧基-5-氟-4(1H)-嘧啶酮（11）和2-苄氧基-5-氟-4(1H)-嘧啶酮（19），与Thf-FU一样有效。2,4-二-O-取代衍生物，2,4-二丁氧基-5-氟嘧啶（1）和2,4-二苄氧基-5-氟嘧啶（6），对艾氏癌和肉瘤180的活性与Thf-FU相同。1-取代衍生物，1-乙氧甲基-5-氟尿嘧啶（49）和1-(1-乙氧基-1-苯甲基)-5-氟尿嘧啶（50），发现与Thf-FU一样有效。
• Synthesis and bronchodilating activity of 2,9-disubstituted adenine derivatives: BB-1502 (9-cyclohexy-2-n-propoxy-9H-adenine) and its analogs.
  作者：TAKAYUKI NAITO、SUSUMU NAKAGAWA、TAKAAKI OKITA、HARUHIRO YAMASHITA、TETSURO YAMASAKI、HIDEO KAMEI、KOZO TOMATSU、HIDEYO IMANISHI、HIROSHI KAWAGUCHI

  DOI：10.1248/cpb.30.2011

  日期：——

  A series of 2, 9-disubstituted adenine derivatives was prepared and evaluated for bronchodilating activity. 9-(2-Cyclohexenyl), 9-tetrahydropyranyl and 9-benzyl derivatives of 2, 6-dichloropurine were converted to the 2-chloroadenines. Subsequent nucleophilic substitution of the 2-chloro group with alkoxides, mercaptides and amines afforded the desired compounds. 9-Cyclohexyl derivatives were prepared by hydrogenation of the corresponding 9-cyclohexenyl compounds. Bronchodilating activities of the new adenine derivatives were evaluated in a number of biological systems. 9-(2-Cyclohexenyl)- and 9-cyclohexyladenines having an ethoxy, n-propoxy, n-butoxy or n-propylthio group at the 2-position showed potent bronchodilating activity. Reduced activity was observed with lower or higher alkoxy homologs and branched alkoxy congeners. 9-Cyclohexyl-2-n-propoxy-9H-adenine (designated as BB-1502) was selected for further studies in view of its high intrinsic activity and favorable pharmacological profile.

  一系列2,9-二取代的腺苷衍生物被制备并评估其支气管扩张活性。9-(2-环己烯基)、9-四氢吡喃基和9-苄基的2,6-二氯嘌呤衍生物被转化为2-氯腺嘌呤。随后用醇盐、硫醇盐和胺对2-氯基团进行亲核取代，得到目标化合物。通过还原相应的9-环己烯基化合物制备9-环己基衍生物。这些新的腺苷衍生物的支气管扩张活性在一系列生物系统中进行了评估。在2位具有乙氧基、正丙氧基、正丁氧基或正丙硫基的9-(2-环己烯基)-和9-环己基腺嘌呤显示出强效的支气管扩张活性。较低或较高的醇氧同系物以及支链醇氧类似物的活性降低。9-环己基-2-正丙氧基-9H-腺嘌呤（标记为BB-1502）因其高内在活性和良好的药理学特性被选中进行进一步研究。