1,2-二羟基环己烷羧酸 | 138002-07-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1,2-二羟基环己烷羧酸
• 英文名称: 1,2-dihydroxycyclohexanecarboxylic acid
• 英文别名: 1,2-dihydroxy-cyclohexanecarboxylic acid；Cyclohexandiol-(1.2)-carbonsaeure-(1)；1,2-Dihydroxy-cyclohexancarbonsaeure；1.2-Dioxy-hexahydrobenzoesaeure；Cyclohexanecarboxylic acid, 1,2-dihydroxy-(9CI)；1,2-dihydroxycyclohexane-1-carboxylic acid
• CAS: 138002-07-0
• 化学式: C₇H₁₂O₄
• 分子量: 160.17
• InChiKey: BFEVGTMIYGOLSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,2-二羟基环己烷羧酸 在 吡啶 作用下， 生成 methyl 2-acetoxy-1-hydroxycyclohexanecarboxylate
  参考文献：
  名称：

  Guthrie, J. Peter; Cossar, John; Lu, Jinqiao, Canadian Journal of Chemistry, 1991, vol. 69, # 12, p. 1904 - 1908

  摘要：

  DOI：
• 作为产物：
  描述：

  1,2-dibromo-cyclohexanecarboxylic acid 在 水 、 sodium carbonate 作用下， 生成 1,2-二羟基环己烷羧酸
  参考文献：
  名称：

  Aschan, Justus Liebigs Annalen der Chemie, 1892, vol. 271, p. 275

  摘要：

  DOI：

文献信息

• [EN] ANTIMICROBIAL AGENTS<br/>[FR] AGENTS ANTIMICROBIENS
  申请人：UNIV WARWICK

  公开号：WO2018193273A1

  公开（公告）日：2018-10-25

  The invention provides novel analogues of enacyloxin Ha and their pharmaceutically acceptable salts, metabolites, isomers (e.g. stereoisomers) and prodrugs. Such compounds are effective in the treatment of infections caused by Gram-negative bacteria such as Acinetobacter baumannii. Compounds in accordance with the invention include those of formula (A), and their pharmaceutically acceptable salts, metabolites, isomers (e.g. stereoisomers) and prodrugs: In formula (A): X is 0 or NRx (where R* is either H or C1-3 alkyl, e.g. CH3); R1 is a 5- or 6-membered, saturated or unsaturated, carbocyclic ring optionally substituted by one or more substituents, or R1 is an optionally substituted straight-chained or branched C-1-6 alkyl group (e.g. C1-3 alkyl group); R2 is H, F, CI, Br, I or CH3; R3 is H or OH; R8 is a straight-chained or branched C1-8 alkyl group (e.g. a C1-6 aikyl group); Y is one of the following groups: (wherein each * denotes the point of attachment of the group to the remainder of the molecule; R9 is H, F, CI, Br or I; R4 and R5 are independently selected from H and OH, or R4 and R5 together are =0, preferably R4 is H and R5 is OH; R6 is H, F, CI, Br, I or CH3; R7 is H and R7' is OH, or R7 and R7' together are =0, preferably R7 is H and R7' is OH); and each— independently represents an optional bond (i.e. each of C2-C3, C4-C5, C6-C7, C8-C9 and C10-C11 are independently either C-C (single) or C=C (double) bonds).

  这项发明提供了恩氨环素Ha的新型类似物及其药学上可接受的盐、代谢物、同分异构体（例如立体异构体）和前药。这些化合物在治疗由革兰氏阴性细菌引起的感染方面具有有效性，如包括鲍曼不动杆菌在内。符合该发明的化合物包括式（A）的化合物及其药学上可接受的盐、代谢物、同分异构体（例如立体异构体）和前药：在式（A）中：X为0或NRx（其中R*为H或C1-3烷基，例如CH3）；R1为一个5-或6-成员的、饱和或不饱和的、碳环，可选择地由一个或多个取代基取代，或R1为一个可选择地取代的直链或支链C-1-6烷基基团（例如C1-3烷基基团）；R2为H、F、Cl、Br、I或CH3；R3为H或OH；R8为一个直链或支链C1-8烷基基团（例如C1-6烷基基团）；Y为以下各组中的一个：（其中每个*表示该组与分子其余部分的连接点；R9为H、F、Cl、Br或I；R4和R5分别独立选择自H和OH，或R4和R5一起为=0，优选R4为H且R5为OH；R6为H、F、Cl、Br、I或CH3；R7为H且R7'为OH，或R7和R7'一起为=0，优选R7为H且R7'为OH）；每个—独立表示一个可选键（即C2-C3、C4-C5、C6-C7、C8-C9和C10-C11中的每一个独立地是C-C（单）或C=C（双）键）。
• Production Of Polyketides And Other Natural Products
  申请人：Gregory Matthew Alan

  公开号：US20090253732A1

  公开（公告）日：2009-10-08

  The present invention relates to production of polyketides and other natural products and to libraries of compounds and individual novel compounds. Therefore in aspect the present invention provides 17-desmethylrapamycin and analogues thereof, methods for their production, including recombinant strains, and isolation and uses of the compounds of the invention. In a further aspect the present invention provides for the use of 17-desmethylrapamycin and analogues thereof in the induction or maintenance of immunosuppression, the stimulation of neuronal regeneration or the treatment of cancer, B-cell malignancies, fungal infections, transplantation rejection, graft vs. host disease, autoimmune disorders, diseases of inflammation vascular disease and fibrotic diseases, and in the regulation of wound healing.

  本发明涉及聚酮类化合物和其他天然产物的生产，以及化合物库和独特新化合物的制备。因此，本发明提供了17-去甲基拉帕霉素及其类似物，包括重组菌株的制备方法，以及本发明化合物的分离和用途。此外，本发明还提供了将17-去甲基拉帕霉素及其类似物用于诱导或维持免疫抑制、促进神经再生或治疗癌症、B细胞恶性肿瘤、真菌感染、移植排斥、移植物抗宿主病、自身免疫性疾病、炎症性血管疾病和纤维化疾病的调节。
• CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF IN ASYMMETRIC OXIDATION REACTIONS
  申请人：Kansas State University Research Foundation

  公开号：US20220204447A1

  公开（公告）日：2022-06-30

  Chiral polyvinylpyrrolidinone (CSPVP), complexes of CSPVP with a core species, such as a bimetallic nanocluster catalyst, and enantioselective oxidation reactions utilizing such complexes are disclosed. The catalytic complexes have exhibited the ability to achieve reaction products have a very high degree of optical purifies. These reaction products can be used as reagents in the synthesis of complex organic molecules, such as bioactive products, and C—H bond oxidation of complex molecules including various drugs and natural products.

  本发明公开了手性聚乙烯吡咯烷酮（CSPVP）及其与核心物种（例如双金属纳米簇催化剂）的配合物，以及利用这些配合物进行对映选择性氧化反应。这些催化配合物已经表现出实现反应产物具有非常高的光学纯度的能力。这些反应产物可用作复杂有机分子（如生物活性产物）的合成试剂，并用于包括各种药物和天然产物在内的复杂分子的C-H键氧化。
• BIOCATALYST SOLVENT USING IONIC LIQUID, AND BIOCATALYST SOLUTION CONTAINING BIOCATALYST AND SAID SOLVENT
  申请人：Miyoshi Oil & Fat Co., Ltd.

  公开号：EP3130670A1

  公开（公告）日：2017-02-15

  There is provided a biocatalyst solvent which is capable of dissolving a biocatalyst in a liquid state while maintaining the activity of the biocatalyst at a high concentration from a low temperature to a high temperature, and is capable of storing the biocatalyst for a long time period; and a biocatalyst solution using the biocatalyst solvent. Disclosed is a biocatalyst solvent which consists of an ionic liquid including a quaternary ammonium cation represented by the following Formula (I) and an anion: [Chemical Formula 1]         N+[Ra]n[Rb]4-n     (I) wherein Ra's each independently represent a hydroxyalkyl group having one or more hydroxyl groups and an a linear or branched alkyl moiety having 1 to 10 carbon atoms, in which the alkyl moiety may contain an oxygen atom; a carboxyalkyl group having one or more carboxyl groups and a linear or branched alkyl moiety having 1 to 10 carbon atoms, in which the alkyl moiety may contain an oxygen atom; or a hydroxycarboxyalkyl group having one or more hydroxyl groups, one or more carboxyl groups and a linear or branched alkyl moiety having 1 to 10 carbon atoms, in which the alkyl moiety may contain an oxygen atom; Rb's each independently represent a hydrogen atom, or a linear or branched alkyl group having 1 to 5 carbon atoms; and n represents an integer from 1 to 4.

  本发明提供了一种生物催化剂溶剂，它能够在液态下溶解生物催化剂，同时使生物催化剂的活性从低温到高温一直保持在高浓度状态，并且能够长时间储存生物催化剂；还提供了一种使用该生物催化剂溶剂的生物催化剂溶液。本发明公开了一种生物催化剂溶剂，它由一种离子液体组成，该离子液体包括由下式（I）代表的季铵阳离子和阴离子： [化学式 1］ N+[Ra]n[Rb]4-n (I) 其中，Ra's 各自独立地代表具有一个或多个羟基的羟烷基和具有 1 至 10 个碳原子的直链或支链烷基，其中烷基可含有一个氧原子；具有一个或多个羧基的羧烷基和具有 1 至 10 个碳原子的直链或支链烷基，其中烷基可含有一个氧原子；或具有一个或多个羟基、一个或多个羧基和一个具有 1 至 10 个碳原子的直链或支链烷基的羟基羧烷基，其中烷基可含有一个氧原子；Rb 各自独立地代表一个氢原子或一个具有 1 至 5 个碳原子的直链或支链烷基；n 代表 1 至 4 的整数。
• COSMETIC INGREDIENT, COSMETIC, AND PRODUCTION METHOD FOR COSMETIC
  申请人：Miyoshi Oil & Fat Co., Ltd.

  公开号：EP3925671A1

  公开（公告）日：2021-12-22

  Provided are a novel cosmetic compounding agent capable of imparting superior properties such as a water and moisture retention property to a cosmetic for use on the hair and skin; a cosmetic using the cosmetic compounding agent; and a method for producing the cosmetic. The cosmetic compounding agent of the present invention contains an organic ammonium salt having a hydrogen-bonding functional group(s) in a cation and/or an anion. In a preferable embodiment, the cation is an ammonium cations represented by the following formula (I):         N+[R1]n[R2]4-n     (I) wherein each R1 independently represents, for example, a hydroxyalkyl group in which there is at least one hydroxy group, an alkyl moiety is a linear or branched moiety having 1 to 10 carbon atoms, and the alkyl moiety may contain an oxygen atom(s), and wherein each R2 independently represents a hydrogen atom or a linear or branched alkyl group having 1 to 18 carbon atoms, and n represents an integer of 0 to 4.

  本发明提供了一种新型化妆品复配剂，该复配剂能够赋予用于头发和皮肤的化妆品以优异的性能，例如保水保湿性能；一种使用该化妆品复配剂的化妆品；以及一种生产该化妆品的方法。本发明的化妆品复配剂含有一种有机铵盐，其阳离子和/或阴离子中具有氢键官能团。在一个较好的实施方案中，阳离子是由下式（I）代表的铵阳离子： N+[R1]n[R2]4-n (I) 其中每个 R1 独立地代表例如羟基烷基，其中至少有一个羟基，烷基是具有 1 至 10 个碳原子的直链或支链基团，烷基可含有一个或多个氧原子，以及 其中每个 R2 独立地代表氢原子或具有 1 至 18 个碳原子的直链或支链烷基，n 代表 0 至 4 的整数。