orotic acid | 6341-93-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: orotic acid
• 英文别名: 6-acetyl-1H-pyrimidine-2,4-dione；6-Acetyl-1H-pyrimidin-2,4-dion；6-Acetyl-uracil；6-Acetylpyrimidine-2,4(1h,3h)-dione；6-acetyl-1H-pyrimidine-2,4-dione
• CAS: 6341-93-1
• 化学式: C₆H₆N₂O₃
• 分子量: 154.125
• InChiKey: CKJBKWWHBKLNPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  75.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  orotic acid 在 N,N-二异丙基乙胺 、 N,N-二乙基苯胺 、 三氯氧磷 作用下， 以 乙醇 、 二氯甲烷 、 正丁醇 为溶剂， 生成 2-(4-acetylpiperazin-1-yl)-4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
  参考文献：
  名称：

  Discovery of P2X3 selective antagonists for the treatment of chronic pain

  摘要：

  Purinergic receptor P2X3 has been linked to analgesia in a number of pre-clinical models of pain, and is expressed in the human pain perception pathway. Only few P2X3-selective antagonists have been reported to date. This Letter describes the SAR and in vivo analgesic profile of a novel scaffold of selective P2X3 antagonists. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.124
• 作为产物：
  描述：

  1-(2,6-二乙氧基-嘧啶-4-基)-乙酮 在 盐酸 作用下， 生成 orotic acid
  参考文献：
  名称：

  Pyrimidine Nuclear Organometallic Compounds. The Synthesis of 6-Acyluracils and Orotic Acid-C¹⁴O₂H

  摘要：

  DOI：

  10.1021/ja01591a028

文献信息

• Piperidine derivative and use thereof
  申请人：Shirai Junya

  公开号：US20080275085A1

  公开（公告）日：2008-11-06

  The present invention provides a novel piperidine derivative and a tachykinin receptor antagonist containing same, as well as a compound represented by the formula: wherein R 1 is carbamoylmethyl, methylsulfonylethylcarbonyl and the like; R 2 is methyl or cyclopropyl; R 3 is a hydrogen atom or methyl; R 4 is a chlorine atom or trifluoromethyl; R 5 is a chlorine atom or trifluoromethyl; and a group represented by the formula: is a group represented by the formula: wherein R 6 is a hydrogen atom, methyl, ethyl or isopropyl; R 7 is a hydrogen atom, methyl or a chlorine atom; and R 8 is a hydrogen atom, a fluorine atom, a chlorine atom or methyl; or 3-methylthiophen-2-yl, and a salt thereof.

  本发明提供了一种新颖的哌啶衍生物和含有该衍生物的催吐肽受体拮抗剂，以及由下式表示的化合物： 其中R1为羰胺甲基、甲磺酰乙基羰基等；R2为甲基或环丙基；R3为氢原子或甲基；R4为氯原子或三氟甲基；R5为氯原子或三氟甲基；以及由下式表示的基团： 是由下式表示的基团： 其中R6为氢原子、甲基、乙基或异丙基；R7为氢原子、甲基或氯原子；R8为氢原子、氟原子、氯原子或甲基；或3-甲基噻吩-2-基，并且其盐。
• [EN] HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTIN AND GALECTIN-3<br/>[FR] INHIBITEURS HÉTÉROBIFONCTIONNELS D'E-SÉLECTINE ET DE GALECTINE-3
  申请人：GLYCOMIMETICS INC

  公开号：WO2020139962A1

  公开（公告）日：2020-07-02

  Compounds, compositions, and methods for treatment and/or prevention of at least one disease, disorder, and/or condition by inhibiting binding of an E-selectin, galectin-3, or E-selectin and galectin-3 to ligands are disclosed. For example, heterobifunctional inhibitors of E-selectin and galectin-3 are described and pharmaceutical compositions comprising at least one such agent is described.

  揭示了通过抑制E-选择素、半乳凝集素-3或E-选择素和半乳凝集素-3与配体的结合来治疗和/或预防至少一种疾病、紊乱和/或状况的化合物、组合物和方法。例如，描述了E-选择素和半乳凝集素-3的异双功能抑制剂，以及描述了包含至少一种此类药剂的药物组合物。
• PREPARATIONS CONTAINING AMINO ACIDS AND OROTIC ACID
  申请人：MacDougall Joseph

  公开号：US20090156812A1

  公开（公告）日：2009-06-18

  The present invention describes compounds produced from an orotic acid molecule and an amino acid molecule. The compounds being in the form of amino acid orotate compounds bound by an amide linkage and produced by one of two disclosed methods; 1) reacting orotic acid or derivatives thereof with a thionyl halide, and then combining the acyl halide with an amino acid in the presence of dichloromethane and a DMAP catalyst; or 2) protecting the carboxylic acid of an amino acid and then combining the amino acid with a DCC activated orotic acid, followed by removal of the carboxylic acid protecting group. The resulting amino acid orotate amide has an enhanced stability in solution as compared to a related ester. In addition, specific benefits are conferred by the particular amino acid used to form the compounds in addition to, and separate from, the orotate substituent.

  本发明描述了从乳酸和氨基酸分子产生的化合物。这些化合物以氨基酸乳酸盐的形式存在，通过酰胺键结合，并通过两种方法之一制备：1）将乳酸或其衍生物与硫酰卤反应，然后在二氯甲烷和DMAP催化剂的存在下将酰卤与氨基酸结合；或2）保护氨基酸的羧基，然后将氨基酸与DCC活化的乳酸结合，随后去除羧基保护基团。与相关酯相比，所得的氨基酸乳酸酰胺在溶液中具有更高的稳定性。此外，特定的氨基酸用于形成这些化合物，除了乳酸取代基外，还赋予了特定的益处。
• Nitrogen-containing heterocyclic compound and use thereof
  申请人：Ikeura Yoshinori

  公开号：US20090156572A1

  公开（公告）日：2009-06-18

  The present invention relates to a compound represented by the formula wherein ring A is a nitrogen-containing heterocycle optionally further having substituent(s), ring B is an aromatic ring optionally having substituent(s), ring C is a cyclic group optionally having substituent(s), R 1 is a hydrogen atom, a hydrocarbon group optionally having substituent(s), an acyl group, a heterocyclic group optionally having substituent(s) or an amino group optionally having substituent(s), R 2 is an optionally halogenated C 1-6 alkyl group, m and n are each an integer of 0 to 5, m+n is an integer of 2 to 5, and is a single bond or a double bond, or a salt thereof and the like. Since the compound has a superior tachykinin receptor antagonistic action, and is useful as an agent for the prophylaxis or treatment of various diseases such as lower urinary tract diseases, gastrointestinal diseases, central nervous system diseases and the like.

  本发明涉及一种由下式表示的化合物：其中环A是含氮杂环，可选择地进一步具有取代基，环B是芳香环，可选择地具有取代基，环C是环状基团，可选择地具有取代基，R1是氢原子，一个碳氢基团，可选择地具有取代基，酰基，一个杂环基团，可选择地具有取代基或一个氨基团，可选择地具有取代基，R2是可选择卤代的C1-6烷基基团，m和n分别是0到5的整数，m+n是2到5的整数，是单键或双键，或其盐等。由于该化合物具有优越的催吐肽受体拮抗作用，可用作预防或治疗多种疾病的药物，如下尿道疾病、胃肠道疾病、中枢神经系统疾病等。
• NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Palani Anandan

  公开号：US20110152259A1

  公开（公告）日：2011-06-23

  The present invention provides compounds of Formula (I): and pharmaceutically acceptable salts, solvates, esters, and tautomers thereof, wherein: Q is selected from the group consisting of: and L is selected from the group consisting of: pharmaceutically compositions comprising one or more compounds of formula (I), and methods of using the compounds of formula (I).

  本发明提供了公式（I）的化合物：以及其药学上可接受的盐、溶剂化合物、酯和互变异构体，其中：Q选自以下组的群体：和L选自以下组的群体：包含一种或多种公式（I）化合物的药学组合物，以及使用公式（I）化合物的方法。