(S)-2,2-二甲基-1,3-二氧戊环-4-甲酸 | 102045-96-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (S)-2,2-二甲基-1,3-二氧戊环-4-甲酸
• 中文别名: (S)-2,2-二甲基-1,3-二氧戊环-4-羧酸
• 英文名称: 2,3-O-isopropylidene-L-glyceric acid
• 英文别名: (S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid；(4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
• CAS: 102045-96-5
• 化学式: C₆H₁₀O₄
• 分子量: 146.143
• InChiKey: OZPFVBLDYBXHAF-BYPYZUCNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  (S)-2,2-二甲基-1,3-二氧戊环-4-甲酸 在 lithium aluminium deuteride 作用下， 以 四氢呋喃 为溶剂， 生成 (S)-2,2-dimethyl-4-hydroxy[²H₂]methyl-1,3-dioxolane
  参考文献：
  名称：

  Synthesis of phospholipid-inhibitor conjugates by enzymic transphosphatidylation with phospholipase D

  摘要：

  This paper describes an efficient enzymatic procedure for the synthesis of phospholipid--inhibitor conjugates. The chemoselectivity, regioselectivity, and stereoselectivity of phospholipase-D-catalyzed phosphatidylations were investigated, and phospholipids containing inhibitors such as azasugars, nucleosides, and peptides were synthesized. These phospholipid conjugates in aqueous solution generally form liposome bilayers with multivalent inhibitors (the head groups) displayed on the surface and may find use in drug delivery and targeting. They also exhibit interesting structural features in different solvent systems as indicated in the NMR spectra.

  DOI：

  10.1021/ja00076a004
• 作为产物：
  描述：

  (R)-(-)-甘油醇缩丙酮 在 sodium hydroxide 、 potassium permanganate 作用下， 以70%的产率得到(S)-2,2-二甲基-1,3-二氧戊环-4-甲酸
  参考文献：
  名称：

  A Route to Homochiral (S)-O-Methyl Mandelic Acid and Related α-Alkoxy Carboxylic Acids from Isopropylidene Glycerol

  摘要：

  An improved synthesis of the useful ketones 7 is described. These ketones are then further modified via a highly stereospecific reduction. to give homochiral alpha-alkoxy carboxylic acids which are useful chiral auxiliaries and intermediates.

  DOI：

  10.1080/00397919508011831

文献信息

• Mapping the substrate selectivity of new hydrolases using colorimetric screening: lipases from Bacillus thermocatenulatus and Ophiostoma piliferum, esterases from Pseudomonas fluorescens and Streptomyces diastatochromogenes
  作者：Andrew Man Fai Liu、Neil A Somers、Romas J Kazlauskas、Terry S Brush、Frank Zocher、Markus M Enzelberger、Uwe T Bornscheuer、Geoff P Horsman、Alessandra Mezzetti、Claudia Schmidt-Dannert、Rolf D Schmid

  DOI：10.1016/s0957-4166(01)00072-6

  日期：2001.3

  screened a general library of 29 substrates and a chiral library of 23 pairs of enantiomers. All four hydrolases catalysed the hydrolysis of unnatural substrates, but the two lipases accepted a broader range of substrates than the two esterases. As expected, the two lipases favoured more hydrophobic substrates, while the two esterases showed a preference for smaller substrates. Several moderately enantioselective

  生物化学和分子生物学的最新进展简化了新型水解酶的发现和制备。尽管这些水解酶可能解决了有机合成中的问题，但测量其选择性（尤其是对映选择性）仍然繁琐且耗时。最近，我们开发了一种比色筛选方法来测量水解酶的对映选择性。在这里，我们应用这种快速筛选方法来绘制四种新型水解酶的底物选择性图：来自嗜热芽孢杆菌的脂肪酶（DSM 730，BTL2）和丝状真菌Ophiostoma piliferum（NRRL 18917，OPL）以及来自两种细菌荧光假单胞菌（Pseudomonas fluorescens（ SIK-W1，酯酶I，PFE）和链霉菌（Tü20，SDE）。我们筛选了29种底物的通用文库和23对对映异构体的手性文库。所有四种水解酶均催化非天然底物的水解，但是与两种酯酶相比，两种脂肪酶接受的底物范围更广。不出所料，这两种脂肪酶偏爱疏水性更高的底物，而两种酯酶则偏爱较小的底物。确认了该酚醛酸酯的一些中等对映选择性反应：BTL2，丁酸酯，E
• 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists
  申请人：Saito Daisuke Roland

  公开号：US20090062333A1

  公开（公告）日：2009-03-05

  The invention provides 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds of formula (I): wherein R 2 , R 7 , and m are defined in the specification, or a pharmaceutically-acceptable salt thereof, that are antagonists at the mu opioid receptor. The invention also provides pharmaceutical compositions comprising such compounds, methods of using such compounds to treat conditions associated with mu opioid receptor activity, and processes and intermediates useful for preparing such compounds.

  本发明提供了式(I)的8-氮杂双环[3.2.1]辛基-2-羟基苯甲酰胺化合物： 式中，R2、R7和m如说明书中所定义，或其药用可接受的盐，这些化合物是μ阿片受体的拮抗剂。本发明还提供了包含这些化合物的药物组合物，使用这些化合物治疗与μ阿片受体活性相关病症的方法，以及用于制备这些化合物的过程和中间体。
• COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY
  申请人：PROTEOSTASIS TEHRAPEUTICS, INC.

  公开号：US20170001993A1

  公开（公告）日：2017-01-05

  The invention encompasses compounds such as compounds having the Formula (I) or (II), compositions thereof, and methods of modulating CFTR activity. The invention also encompasses methods of treating a condition associated with CFTR activity or condition associated with a dysfunction of proteostasis comprising administering to a subject an effective amount of a disclosed compound.

  这项发明涵盖了诸如具有化学式(I)或(II)的化合物、这些化合物的组合物以及调节CFTR活性的方法。该发明还涵盖了治疗与CFTR活性相关的疾病或与蛋白质稳态功能障碍相关的疾病的方法，包括向受试者施用所披露化合物的有效量。
• [EN] ANTIMICROBIAL [3.1.0] BICYCLOHEXYLPHENYL-OXAZOLIDINONE DERIVATIVES AND ANALOGUES<br/>[FR] DERIVES DE [3.1.0] BICYCLOHEXYLPHENYL-OXAZOLIDINONE ANTIMICROBIENS ET LEURS ANALOGUES
  申请人：UPJOHN CO

  公开号：WO2004089943A1

  公开（公告）日：2004-10-21

  The present invention provides certain [3.1.0] bicyclic oxazolidinone derivatives of Formula (I) or pharmaceutically acceptable salts or prodrugs thereof that are antibacterial agents, pharmaceutical compositions containing them, methods for their use, and methods for preparing these compounds.

  本发明提供了具有抗菌作用的某些[3.1.0]双环氧唑啉酮衍生物的化合物，其化学式为(I)，或其药用可接受的盐或前药，包含它们的药物组合物，使用它们的方法，以及制备这些化合物的方法。
• [EN] IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS<br/>[FR] DÉRIVÉS DE L'IMIDAZOPYRIDINE EN TANT QU'INHIBITEURS DE JAK
  申请人：ALMIRALL SA

  公开号：WO2011076419A1

  公开（公告）日：2011-06-30

  New imidazopyridine derivatives having the chemical structure of formula (I) are disclosed; as well as process for their preparation, pharmaceutical compositions comprising them and their use in therapy as inhibitors of Janus Kinases (JAK).

  新的咪唑吡啶衍生物具有化学结构式(I)所示；以及它们的制备方法，包含它们的药物组合物以及它们作为Janus激酶（JAK）抑制剂在治疗中的用途。