3,5-dimethyl-cyclohexane-1,2-diol | 90201-02-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,5-dimethyl-cyclohexane-1,2-diol
• 英文别名: 3,5-Dimethylcyclohexane-1,2-diol
• CAS: 90201-02-8
• 化学式: C₈H₁₆O₂
• 分子量: 144.214
• InChiKey: WXOZKMUBISITIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  10
• 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：

  3,5-dimethyl-cyclohexane-1,2-diol 在 potassium permanganate 作用下， 以 丙酮 为溶剂， 生成 2,4-dimethyladipic acid
  参考文献：
  名称：

  Cavill,G.W.K.; Solomon,D.H., Australian Journal of Chemistry, 1962, vol. 15, p. 764 - 770

  摘要：

  DOI：
• 作为产物：
  描述：

  3,5-二甲基环己酮 在 lithium aluminium tetrahydride 作用下， 以 乙醚 、 苯 为溶剂， 生成 3,5-dimethyl-cyclohexane-1,2-diol
  参考文献：
  名称：

  Cavill,G.W.K.; Solomon,D.H., Australian Journal of Chemistry, 1960, vol. 13, p. 121 - 128

  摘要：

  DOI：

文献信息

• NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE
  申请人：Calvet James P.

  公开号：US20110082098A1

  公开（公告）日：2011-04-07

  Novobiocin analogues are useful in methods of treating, inhibiting, and/or preventing cyst formation in autosomal dominant polycystic kidney disease (ADPKD) in a subject. The disclosure provides methods of treating ADPKD comprising administering a therapeutically effective amount of a coumarin-3-carboxamide novobiocin analogue. Accordingly, the method can include administering a novobiocin analogue in a therapeutically effective amount for reducing levels of mTOR pathway phosphoproteins P-mTOR, P-Akt and P-S6K, or combinations thereof. Further, the method can include administering a novobiocin analogue in a therapeutically effective amount for reducing levels of Hsp-90 client proteins CFTR, ErbB2, c-Raf and Cdk4, or combinations thereof.

  新比奴霉素类似物在治疗、抑制和/或预防自体显性多囊肾病（ADPKD）中的囊肿形成方法中是有用的。本公开提供了治疗ADPKD的方法，包括给予香豆素-3-羧酰胺新比奴霉素类似物的治疗有效量。因此，该方法可以包括给予新比奴霉素类似物的治疗有效量，以降低mTOR途径磷酸化蛋白P-mTOR、P-Akt和P-S6K的水平，或其组合。此外，该方法可以包括给予新比奴霉素类似物的治疗有效量，以降低Hsp-90客体蛋白CFTR、ErbB2、c-Raf和Cdk4的水平，或其组合。
• [EN] THERAPEUTIC BORON-CONTAINING COMPOUNDS<br/>[FR] COMPOSÉS THÉRAPEUTIQUES CONTENANT DU BORE
  申请人：UNIV TROMSOE

  公开号：WO2013104897A1

  公开（公告）日：2013-07-18

  The present invention relates to compounds of Formula (I) wherein R1 and R3 are hydrogen; R2 and R4, which may be the same or different, are hydrogen, a C1-6 alkyl group optionally substituted by an aryl group which may itself be substituted, the substituent group including an alkyl group or an -OR group in which R is a C1-3 alkyl group, with one or more hydrogen atoms optionally replaced with a halogen atom; or an aryl group which may be substituted, the substituent group including an alkyl group or an -OR group in which R is a C1-3 alkyl group, with one or more hydrogen atoms optionally replaced with a halogen atom; with the proviso that R2 and R4 are not both hydrogen; the atom of R4 which is attached to Cβ is either a saturated carbon atom or an atom which is part of a 1 substituted aromatic ring; (AA)0-5 is an amino acid, amino acid derivative, peptide of up to 5 amino acids or a peptidomimetic thereof which optionally incorporates an N-terminal capping group, when the group is (AA)0 an N-terminal capping group is present, covalently attached to the nitrogen atom shown in Formula (I) and the capping group comprises at least 5 non-hydrogen atoms; R5 is hydrogen or a C1-3 20 alkyl group, when AA=0, R5 may form a cyclic group with the N-terminal capping group; R6 and R7 independently of one another denote hydrogen or a C1-6 alkyl group; or together with the boron atom and the oxygen atoms, form a mono-, bi- or tricyclic, saturated or partly unsaturated, mono-, di-, tri- or tetra- C1-6 alkylated or phenylated ring system having 5-18 ring members; and salt forms and stereoisomers thereof. The invention further relates to pharmaceutical formulations containing these compounds and the use of these compounds in therapy, particularly as antimicrobial agents, more particularly as an agent effective in treating a Mycobacterium tuberculosis infection or a Candida albicans infection. (I)

  本发明涉及式（I）的化合物，其中R1和R3为氢；R2和R4，可以相同也可以不同，为氢，一个C1-6烷基基团，可选择地被芳基基团取代，该芳基基团本身可能被取代，取代基团包括一个烷基基团或一个-OR基团，其中R为C1-3烷基基团，其中一个或多个氢原子可选择地被卤素原子取代；或者为一个可能被取代的芳基基团，取代基团包括一个烷基基团或一个-OR基团，其中R为C1-3烷基基团，其中一个或多个氢原子可选择地被卤素原子取代；但R2和R4不能同时为氢；与连接到Cβ的R4原子是饱和碳原子或是1-取代芳香环的一部分的原子；（AA）0-5是氨基酸、氨基酸衍生物、最多含有5个氨基酸的肽或其肽类似物，可选择地包含一个N-末端帽基团，当该基团为（AA）0时，存在一个N-末端帽基团，共价连接到式（I）中所示的氮原子，并且帽基团至少包含5个非氢原子；R5为氢或C1-3烷基基团，当AA=0时，R5可以与N-末端帽基团形成一个环状基团；R6和R7彼此独立地表示氢或C1-6烷基基团；或者与硼原子和氧原子一起形成一个单环、双环或三环的饱和或部分不饱和的、单烷基化或苯基化的环系统，具有5-18个环成员；以及其盐形式和立体异构体。本发明还涉及含有这些化合物的药物配方以及这些化合物在治疗中的使用，特别是作为抗微生物药物，更具体地作为一种有效治疗结核分枝杆菌感染或念珠菌感染的药物。
• NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES
  申请人：Blagg Brian S. J.

  公开号：US20120252745A1

  公开（公告）日：2012-10-04

  The disclosure provides novobiocin analogues with noviose replacements which are useful as Hsp90 inhibitors in the treatment of cancer.

  本公开提供了具有替代noviose的诺维菌素类似物，其在癌症治疗中作为Hsp90抑制剂是有用的。
• Method for preparing ethers of cycloaliphatic or araliphatic diols
  申请人：BASF SE

  公开号：US11078146B2

  公开（公告）日：2021-08-03

  The present invention relates to a method for preparing a dialkyi or dialkenyl ether of a cycloaliphatic or araliphatic diol, which comprises (i) reacting the cycloaliphatic or araliphatic diol with metallic sodium in an aprotic organic solvent in the presence of a catalytic amount of at least one monoether-monoalcohol of formula (I) wherein Y is identical or different and selected from C2-C4-alkylene, n is an integer in the range from 1 to 10, and R1 is C1-C4-Alkyl, whereby the corresponding disodium dialcoholate is obtained, reacting the disodium dialcoholate obtained in step (i) with an alkylation alkenylation reagent.

  本发明涉及一种制备环脂族或脂肪族二元醇的二酮基或二烯基醚的方法，其包括 (i) 在催化量的至少一种式(I)的单醚一元醇存在下，在非沸腾有机溶剂中使环脂族或脂肪族二元醇与金属钠反应，式(I)中Y为相同或不同且选自C2-C4-烯烃、n 为 1-10 之间的整数，R1 为 C1-C4 烷基，将步骤(i)中得到的二醇二钠与烷基化烯基化试剂反应，可得到相应的二醇二钠。
• METHOD FOR PREPARING ETHERS OF CYCLOALIPHATIC OR ARALIPHATIC DIOLS
  申请人：BASF SE

  公开号：EP3720835B1

  公开（公告）日：2022-07-13