(4R)-2,2-二甲基-1,3-二氧戊环-4-羧酸 | 114746-70-2

• 物质功能分类: 医药中间体 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (4R)-2,2-二甲基-1,3-二氧戊环-4-羧酸
• 英文名称: (R)-2,2-dimethyl-[1,3]dioxolane-4-carboxylic acid
• 英文别名: (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid；(r)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid
• CAS: 114746-70-2
• 化学式: C₆H₁₀O₄
• 分子量: 146.143
• InChiKey: OZPFVBLDYBXHAF-SCSAIBSYSA-N

物化性质

• 沸点：
  244.2±35.0 °C(Predicted)
• 密度：
  1.203±0.06 g/cm3(Predicted)

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：
  H302,H315,H319,H335
• 储存条件：
  储存温度为2-8°C，并需保存在惰性气体中。

反应信息

• 作为反应物：
  描述：

  (4R)-2,2-二甲基-1,3-二氧戊环-4-羧酸 在 盐酸 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 D-甘油酸
  参考文献：
  名称：

  Synthesis and CB1 receptor activities of novel arachidonyl alcohol derivatives

  摘要：

  Novel derivatives of arachidonyl alcohol were synthesized and evaluated for their CBI receptor activity by [S-35]GTP(gamma)S assay using rat cerebellar membranes. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.093
• 作为产物：
  描述：

  potassium (R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate 在 磷酸 作用下， 以 乙酸乙酯 为溶剂， 以96%的产率得到(4R)-2,2-二甲基-1,3-二氧戊环-4-羧酸
  参考文献：
  名称：

  Synthesis of chiral and achiral pyranenamine derivatives. Potent agents with topical ocular antiallergic activity

  摘要：

  The SS, RR and meso stereoisomers of pyranenamine SK&F 84210 (2) were synthesized stereospecifically starting from commercially available (R)-(-)- or (S)-(+)-2,2-dimethyl-1,3,dioxolane-4-methanol (3). In addition, two achiral pyranenamines 19 and 26 were also synthesized. When evaluated by intravenous and topical routes in the rat passive ocular anaphylaxis (POA) assay, (SS)- and meso-2 as well as achiral compounds 19 and 26 were found to be more potent antiallergic agents than (RR)-2.

  DOI：

  10.1021/jm00105a060

文献信息

• Thienopyridine compounds, their production and use
  申请人：——

  公开号：US20010001104A1

  公开（公告）日：2001-05-10

  The compound of the present invention possesses excellent gonadotropin-releasing hormone antagonizing activity, and is useful for preventing or treating sex hormone-dependent diseases, e.g., sex hormone-dependent cancers (e.g., prostatic cancer, uterine cancer, breast cancer, pituitary tumor), prostatic hypertrophy, hysteromyoma, endometriosis, precocious puberty, amenorrhea syndrome, multilocular ovary syndrome, pimples etc, or as a pregnancy regulator (e.g., contraceptive), infertility remedy or menstruation regulator.

  本发明的化合物具有出色的促性腺激素释放激素拮抗活性，并可用于预防或治疗性激素依赖性疾病，例如性激素依赖性癌症（例如前列腺癌、子宫癌、乳腺癌、垂体肿瘤）、前列腺肥大、子宫肌瘤、子宫内膜异位症、性早熟、闭经综合征、多囊卵巢综合征、痤疮等，或作为妊娠调节剂（例如避孕药）、不孕症疗法或月经调节剂。
• [EN] ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES D'ARYLMÉTHYLÈNE UTILISÉS EN TANT QUE BLOQUEURS DES CANAUX POTASSIQUES KV1.3 DE TYPE SHAKER
  申请人：DE SHAW RES LLC

  公开号：WO2021071806A1

  公开（公告）日：2021-04-15

  A compound of Formula (I) or a pharmaceutically acceptable salt thereof is described, wherein the substituents are as defined herein. Pharmaceutical compositions comprising the same and method of using the same are also described.

  描述了化合物的公式（I）或其药学上可接受的盐，其中取代基如本文所定义。还描述了包含相同化合物的药物组合物以及使用该药物的方法。
• 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
• SYNERGISTIC MODULATION OF FLT3 KINASE USING A FLT3 INHIBITOR AND A FARNESYL TRANSFERASE INHIBITOR
  申请人：Baumann Andrew Christian

  公开号：US20060281788A1

  公开（公告）日：2006-12-14

  The invention is directed to a method of inhibiting FLT3 tyrosine kinase activity or expression or reducing FLT3 kinase activity or expression in a cell or a subject comprising the administration of a farnesyl transferase inhibitor and a FLT3 kinase inhibitor selected from compounds of Formula I′: Included within the present invention is both prophylactic and therapeutic methods for treating a subject at risk of (or susceptible to) developing a cell proliferative disorder or a disorder related to FLT3.

  本发明涉及一种抑制FLT3酪氨酸激酶活性或表达或减少细胞或受试者中FLT3激酶活性或表达的方法，包括管理法尼基转移酶抑制剂和从公式I'的化合物中选择的FLT3激酶抑制剂。 本发明包括用于治疗处于发展细胞增殖障碍或与FLT3相关障碍风险（或易感性）的受试者的预防和治疗方法。
• METHOD OF INHIBITING C-KIT KINASE
  申请人：Illig R. Carl

  公开号：US20080051402A1

  公开（公告）日：2008-02-28

  A method of reducing or inhibiting kinase activity of C-KIT in a cell or a subject, and the use of such compounds for preventing or treating in a subject a cell proliferative disorder and/or disorders related to C-KIT using a compound of the present invention: or a solvate, hydrate, tautomer or pharmaceutically acceptable salt thereof. The present invention is further directed to methods for treating conditions such as cancers and other cell proliferative disorders.

  本发明提供了一种减少或抑制细胞或主体中C-KIT激酶活性的方法，以及使用本发明的化合物预防或治疗主体中的细胞增殖障碍和/或与C-KIT相关疾病的应用：或其溶剂化物、水合物、互变异构体或药用可接受盐。本发明进一步涉及治疗癌症和其他细胞增殖障碍等条件的方法。