1,2-transcyclohexanediol | 28553-75-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,2-transcyclohexanediol
• 英文别名: 1,1-dihydroxycyclohexane；Cyclohexane-1,1-diol
• CAS: 28553-75-5
• 化学式: C₆H₁₂O₂
• 分子量: 116.16
• InChiKey: PDXRQENMIVHKPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,2-transcyclohexanediol 在 sodium vanadium bronze 、 platinum on carbon 、 氧气 作用下， 80.0 ℃ 、300.01 kPa 条件下， 反应 4.0h， 生成 己二酸
  参考文献：
  名称：

  使用铂和钒催化剂从环己二醇中形成己二酸：阐明均相钒物种的作用

  摘要：

  钒化合物与Pt / C一起显示出将环己二醇氧化为己二酸的巨大潜力。但是，考虑到活性物质的均质或异质性质，这些材料的低稳定性通常会导致模棱两可。在本文中，我们描述了通过利用钒青铜结构合成稳定的钒催化剂的尝试。通过向这些结构中添加钠，铜或银，AgVO 3的浸出率可降低至5％，而V 2 O 5则为88.4％。这些反应在3 bar O 2的水性条件下进行。然而，尽管钒在青铜结构中具有显着的稳定性，但我们发现，反应溶液中低至7.6 ppm的均相钒物种会导致2-羟基环己酮选择性氧化为己二酸。通过51 V NMR和UV-vis对形态的分析显示，活性物质以十钒酸盐化合物的形式处于+5氧化态，并且存在少量的单钒酸盐。

  DOI：

  10.1039/d0cy00914h
• 作为产物：
  描述：

  环己酮 在 水 作用下， 以 重水 为溶剂， 生成 1,2-transcyclohexanediol
  参考文献：
  名称：

  Using the Electrostatic Field Effect to Design a New Class of Inhibitors for Cysteine Proteases

  摘要：

  A new class of competitive inhibitors for the cysteine protease papain is described. These inhibitors are based upon a 4-heterocyclohexanone ring and are designed to react with the enzyme active site nucleophile to give a reversibly formed hemithioketal. The electrophilicity of the ketone in these inhibitors is enhanced by ring strain and by through-space electrostatic repulsion with the heteroatom at the 1-position of the ring. Equilibrium constants for addition of water and 3-mercaptopropionic acid to several 4-heterocyclohexanones were measured by H-1 NMR spectroscopy. These reactions model addition of the active site nucleophile to the corresponding inhibitors. The equilibrium constants give a linear correlation with the field substituent constant F for the functional group at the 1-position of the heterocyclohexanone. These equilibrium constants also correlate well with the inhibition constants for the 4-heterocyclohexanone-based inhibitors, which range from 11 to 120 mu M. Thus, the model system can be used to predict the potency of structurally related enzyme inhibitors.

  DOI：

  10.1021/ja9641867

文献信息

• Diamine derivatives
  申请人：Ohta Toshiharu

  公开号：US20050020645A1

  公开（公告）日：2005-01-27

  A compound represented by the general formula (1): Q 1 -Q 2 -T 0 -N(R 1 )-Q 3 -N(R 2 )-T 1 -Q 4 (1) wherein R 1 and R 2 are hydrogen atoms or the like; Q 1 is a saturated or unsaturated, 5- or 6-membered cyclic hydrocarbon group which may be substituted, or the like; Q 2 is a single bond or the like; Q 3 is a group in which Q 5 is an alkylene group having 1 to 8 carbon atoms, or the like; and T 0 and T 1 are carbonyl groups or the like; a salt thereof, a solvate thereof, or an N-oxide thereof. The compound is useful as an agent for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism, Buerger's disease, deep venous thrombosis, disseminated intravascular coagulation syndrome, thrombus formation after valve or joint replacement, thrombus formation and reocclusion after angioplasty, systemic inflammatory response syndrome (SIRS), multiple organ dysfunction syndrome (MODS), thrombus formation during extracorporeal circulation, or blood clotting upon blood drawing.

  通用式（1）表示的化合物： Q1-Q2-T0-N(R1)-Q3-N(R2)-T1-Q4（1） 其中R1和R2是氢原子或类似物；Q1是饱和或不饱和的、5-或6-成员环烃基，可以被取代，或类似物；Q2是单键或类似物；Q3是一个基团，其中Q5是具有1至8个碳原子的烷基基团，或类似物；T0和T1是羰基团或类似物；其盐、溶剂合物或N-氧化物。 该化合物可用作预防和/或治疗脑梗死、脑栓塞、心肌梗死、心绞痛、肺梗死、肺栓塞、布尔格病、深静脉血栓形成、弥散性血管内凝血综合征、瓣膜或关节置换后的血栓形成、血管成形术后的血栓形成和再闭塞、全身性炎症反应综合征（SIRS）、多器官功能障碍综合征（MODS）、体外循环期间的血栓形成，或抽血时的血液凝结。
• [EN] ANTIOXIDANT CAMPTOTHECIN DERIVATIVES AND ANTIOXIDANT ANTINEOPLASTIC NANOSPHERES THEREOF<br/>[FR] DÉRIVÉS ANTIOXYDANTS DE LA CAMPTOTHÉCINE ET LEURS NANOSPHÈRES ANTIOXYDANTES ANTINÉOPLASIQUES
  申请人：CEDARS SINAI MEDICAL CENTER

  公开号：WO2010060098A1

  公开（公告）日：2010-05-27

  The present invention is directed to antioxidant derivatives of camptothecin and antioxidant derivatives of camptothecin analogs and the preparation of nanometer-sized camptothecin prodrugs. Methods of synthesizing the antioxidant derivatives of camptothecin and antioxidant derivatives of camptothecin analogs, spontaneous emulsification or nanoprecipitation thereof to produce antioxidant camptothecin nanosphere prodrugs and their use in treating cancerous diseases are also provided. A further aspect of this invention is the use of these antioxidant camptothecin nanosphere prodrugs for the preparation of delivery devices of other pharmaceuticals and/or drugs.

  本发明涉及喜树碱的抗氧化衍生物、喜树碱类似物的抗氧化衍生物以及纳米级喜树碱前药的制备。还提供了合成喜树碱的抗氧化衍生物和喜树碱类似物的抗氧化衍生物的方法，以及通过自发乳化或纳米沉淀制备抗氧化喜树碱纳米球前药，并将其用于治疗癌症疾病的方法。本发明的另一个方面是利用这些抗氧化喜树碱纳米球前药制备其他药物的输送装置。
• ANTIREFLECTIVE COMPOSITIONS WITH THERMAL ACID GENERATORS
  申请人：Rohm and Haas Electronic Materials Korea Ltd.

  公开号：US20190085173A1

  公开（公告）日：2019-03-21

  New methods and substrates are provided that include antireflective compositions that comprise one or more thermal acid generators.

  提供了包括一个或多个热酸发生剂的防反射组分的新方法和基板。
• [EN] C-TERMINAL HSP90 INHIBITORS<br/>[FR] INHIBITEURS DE HSP90 C-TERMINAUX
  申请人：UNIV KANSAS

  公开号：WO2013119985A1

  公开（公告）日：2013-08-15

  Hsp90 C-terminal inhibitors and pharmaceutical compositions containing such compounds are provided. The compounds of the disclosure are useful for the treatment and/or prevention of neurodegenerative disorders such as diabetic peripheral neuropathy.

  Hsp90 C端抑制剂及含有此类化合物的药物组合物。本发明公开的化合物可用于治疗和/或预防神经退行性疾病，如糖尿病周围神经病变。
• 3-Desoxy-2-Methylene-Vitamin D Analogs and Their Uses
  申请人：WISCONSIN ALUMNI RESEARCH FOUNDATION

  公开号：US20130102567A1

  公开（公告）日：2013-04-25

  This invention discloses 3-desoxy-2-methylene-vitamin D analogs, and specifically (20S)-3-desoxy-1α,25-dihydroxy-2-methylene-vitamin D 3 and (20R)-3-desoxy-1α, 25-dihydroxy-2-methylene-vitamin D 3 as well as pharmaceutical uses therefor. These compounds exhibit relatively high binding activity and pronounced activity in arresting the proliferation of undifferentiated cells and inducing their differentiation to monocytes thus evidencing use as anti-cancer agents especially for the treatment or prevention of osteosarcoma, leukemia, colon cancer, breast cancer, skin cancer or prostate cancer. These compounds also exhibit relatively high calcemic activity evidencing use in the treatment of bone diseases.

  本发明公开了3-脱氧-2-亚甲基-维生素D类似物，尤其是(20S)-3-脱氧-1α,25-二羟基-2-亚甲基-维生素D3和(20R)-3-脱氧-1α,25-二羟基-2-亚甲基-维生素D3以及其医药用途。这些化合物具有相对较高的结合活性和显著抑制未分化细胞增殖并诱导其向单核细胞分化的活性，因此可用作抗癌剂，特别用于治疗或预防骨肉瘤、白血病、结肠癌、乳腺癌、皮肤癌或前列腺癌。这些化合物还具有相对较高的钙调活性，可用于治疗骨骼疾病。