((2,2-dimethylpropanoyl)oxy)methyl propanoate | 137373-52-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ((2,2-dimethylpropanoyl)oxy)methyl propanoate
• 英文别名: 2,2-Dimethyl-propionic acid propionyloxymethyl ester；propanoyloxymethyl 2,2-dimethylpropanoate
• CAS: 137373-52-5
• 化学式: C₉H₁₆O₄
• 分子量: 188.224
• InChiKey: FQKPQONAJQGAFB-UHFFFAOYSA-N

物化性质

• 沸点：
  229.9±13.0 °C(Predicted)
• 密度：
  1.022±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  特戊酸氯甲酯 、 丙酸 在 三乙胺 作用下， 以 丙酮 为溶剂， 反应 24.0h， 生成 ((2,2-dimethylpropanoyl)oxy)methyl propanoate
  参考文献：
  名称：

  Novel anticancer prodrugs of butyric acid. 2

  摘要：

  The antitumor activity of novel prodrugs butyric acid was examined. The in vitro effect of the compounds on induction of cytodifferentiation and on inhibition of proliferation and clonogenicity showed that (pivaloyloxy)methyl butyrate (1a) (labeled AN-9) was the most active agent. SAR's suggested that its activity stemmed from hydrolytically released butyric acid. In vivo, 1a displayed antitumor activity in B16F0 melanoma primary cancer model, manifested by a significant increase in the life span of the treated animals. Murine lung tumor burden, induced by injection of the highly metastatic melanoma cells (B16F10.9), was decreased by 1a. It also displayed a significant therapeutic activity against spontaneous metastases which were induced by 3LL Lewis lung carcinoma cells. Moreover, 1a has the advantage of low toxicity, with an acute LD50 = 1.36 +/- 0.1 g/kg (n = 5). These results suggest that 1a is a potential antineoplastic agent.

  DOI：

  10.1021/jm00082a009

文献信息

• [EN] SKIN PROBIOTIC<br/>[FR] PROBIOTIQUE POUR LA PEAU
  申请人：UNIV CALIFORNIA

  公开号：WO2015106175A1

  公开（公告）日：2015-07-16

  The disclosure provides skin probiotics, fermented media extract and fermentation byproducts thereof for the treatment of skin disease and disorders as well as for the prevention/treatment of acne and MRSA. In one embodiment, a topical probiotic composition is provided that is capable of producing or maintaining skin microbiome balance. The composition can comprise a therapeutically effective amount or inhibiting effective amount of one or more microbiome balancing compounds.

  该披露提供了用于治疗皮肤疾病和紊乱以及预防/治疗痤疮和MRSA的皮肤益生菌、发酵培养基提取物及其发酵副产物。在一个实施例中，提供了一种能够产生或维持皮肤微生物组平衡的局部益生菌组合物。该组合物可以包含一种或多种微生物组平衡化合物的治疗有效量或抑制有效量。
• Novel condensed imidazole derivative
  申请人：Nakahira Hiroyuki

  公开号：US20070105890A1

  公开（公告）日：2007-05-10

  Disclosed is a compound represented by the formula (1) below which has a high DPP-IV inhibitory activity and is improved in safety, toxicity and the like. Also disclosed is a prodrug of such a compound and pharmaceutically acceptable salts of them. (In the formula, R 1 represents a hydrogen atom, an optionally substituted alkyl group or the like; R 2 and R 3 independently represent a hydrogen atom, an optionally substituted alkyl group or the like; R 4 and R 5 independently represent a hydrogen atom, an optionally substituted alkyl group or the like: R 6 represents a hydrogen atom, an optionally substituted aryl group or the like; and —Y—NH 2 , represents a group represented by the following formula (A): (wherein m is 0, 1 or 2; and R 7 may not exist or one or two R 7 may exist and independently represent an optionally substituted alkyl group or the like) or the like.]

  公开了一种化合物，其表示为以下式（1），具有较高的DPP-IV抑制活性并且在安全性、毒性等方面得到改善。还公开了这种化合物的前药和它们的药学上可接受的盐。（在该式中，R1表示氢原子，可选择性取代的烷基或类似物; R2和R3独立地表示氢原子，可选择性取代的烷基或类似物; R4和R5独立地表示氢原子，可选择性取代的烷基或类似物：R6表示氢原子，可选择性取代的芳基或类似物; 而—Y—NH2表示由以下式（A）表示的基团：（其中m为0、1或2；而R7可能不存在或一个或两个R7可能存在且独立地表示可选择性取代的烷基或类似物）或类似物。）
• 3-Carbamoyl-2-Pyridone Derivative
  申请人：Ishizuka Natsuki

  公开号：US20080103139A1

  公开（公告）日：2008-05-01

  The present invention provides compounds having an agonistic activity to the cannabinoid receptor, which is represented by the formula (I): wherein R 1 is optionally substituted C1-C8 alkyl and the like; R 2 is C1-C6 alkyl; R 3 is C1-C6 alkyl and the like; or R 2 and R 3 taken together with may form an optionally substituted 5 to 10 membered non-aromatic carbon ring; R 4 is hydrogen and the like; G is a group selected from the groups shown by the formula an the like: wherein R 5 is hydrogen and the like; X 1 is a single bond and the like; X 2 is optionally substituted C1-C8 alkylene that may be replaced by one or two groups of —O—, or —N(R 6 )—, wherein R 6 is hydrogen and the like, and the like; X 3 is a single bond and the like; a pharmaceutically acceptable salt or a solvate thereof, and pharmaceutical compositions, atopic dermatitis treating agents, and anti-pruritus agents, especially anti-pruritus agents for oral used and for external application, which each contains the said compound as an active ingredient.

  本发明提供了具有激动大麻素受体的作用的化合物，其由式（I）表示：其中，R1是可选取的取代的C1-C8烷基等；R2是C1-C6烷基；R3是C1-C6烷基等；或R2和R3共同形成可选取代的5至10个成员的非芳香碳环；R4是氢等；G是由式等所示的基团中选取的基团：其中，R5是氢等；X1是单键等；X2是可选取代的C1-C8烷基，可以被一或两个-O-或-N（R6）-的基团替代，其中R6是氢等；X3是单键等；其药学上可接受的盐或其溶剂，以及制药组合物、治疗特应性皮炎的制剂和抗瘙痒剂，特别是口服和外用的抗瘙痒剂，每种制剂均以所述化合物为活性成分。
• CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF
  申请人：Kyowa Hakko Kirin Co., Ltd.

  公开号：US20140371207A1

  公开（公告）日：2014-12-18

  Disclosed are novel compounds and a method of treating a disease associated with aberrant leukocyte recruitment and/or activation. The method comprises administering to a subject in need an effective amount of a compound represented by: or physiologically acceptable salt thereof.

  本发明涉及新型化合物和治疗与异常白细胞招募和/或激活相关的疾病的方法。该方法包括向需要的受体内给予有效量的化合物，该化合物由以下化学式表示：或其生理上可接受的盐。
• SKIN PROBIOTIC
  申请人：The Regents of the University of California

  公开号：EP3903824A1

  公开（公告）日：2021-11-03

  The present invention relates to a topical probiotic composition for producing or maintaining skin microbiome balance, the composition comprising a therapeutically effective amount or inhibiting effective amount one or more compounds having the structure of Formula I: wherein R, R1, and R2 are independently selected from the group consisting of hydrogen, and optionally substituted (C1-C12) alkyl, optionally substituted hetero- (C1-C12) alkyl, optionally substituted (C1-C12) alkenyl, optionally substituted hetero- (C1-C12) alkenyl, optionally substituted (C1-C12) alkynyl, optionally substituted hetero- (C1-C12) alkynyl, optionally substituted (C1-C12) cycloalkyl, optionally substituted (C1-C12) cycloalkenyl, optionally substituted aryl, optionally substituted heterocycle, and optionally substituted mixed ring system, and -O-R3-O-Y; R3 is selected from the group consisting of an optionally substituted (C1-C12) alkyl, optionally substituted hetero- (C1-C12) alkyl, optionally substituted (C1-C12) alkenyl, optionally substituted hetero- (C1-C12) alkenyl, optionally substituted (C1-C12) alkynyl, and optionally substituted hetero- (C1-C12) alkynyl; and Y is another compound of Formula I, or is selected from the group consisting of and pharmaceutically acceptable salts thereof.

  本发明涉及一种用于产生或维持皮肤微生物组平衡的局部益生菌组合物，该组合物包含治疗有效量或抑制有效量的一种或多种具有式 I 结构的化合物： 其中 R、R1 和 R2 独立地选自氢、任选取代的(C1-C12)烷基、任选取代的杂(C1-C12)烷基、任选取代的(C1-C12)烯基、任选取代的杂(C1-C12)烯基、任选取代的(C1-C12)炔基、任选取代的杂(C1-C12)炔基、任选取代的(C1-C12)环烷基、任选取代的(C1-C12)环烯基、任选取代的芳基、任选取代的杂环基和任选取代的混合环系统和-O-R3-O-Y 所组成的组；R3 选自以下组：任选取代的 (C1-C12) 烷基、任选取代的杂环 (C1-C12) 烷基、任选取代的 (C1-C12) 烯基、任选取代的杂环 (C1-C12) 烯基、任选取代的 (C1-C12) 炔基和任选取代的杂环 (C1-C12) 炔基；以及 Y 是另一种式 I 化合物，或选自由以下组成的组 及其药学上可接受的盐类。