Calcium;3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;3-[(2,4-dihydroxy-3,3-dimethyl-1-oxidobutylidene)amino]propanoate

• 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: Calcium;3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;3-[(2,4-dihydroxy-3,3-dimethyl-1-oxidobutylidene)amino]propanoate
• 英文别名: calcium;3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;3-[(2,4-dihydroxy-3,3-dimethyl-1-oxidobutylidene)amino]propanoate
• 化学式: C18H32CaN2O10
• 分子量: 476.5
• InChiKey: FAPWYRCQGJNNSJ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -5.14
• 重原子数：
  31
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  219
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  Calcium;3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;3-[(2,4-dihydroxy-3,3-dimethyl-1-oxidobutylidene)amino]propanoate 生成 泛硫乙胺
  参考文献：
  名称：

  JOSIMURA, IKUO;SASAKI, KADZUESI

  摘要：

  DOI：
• 作为产物：
  描述：

  calcium;3-aminopropanoate 、 DL-泛酰内酯 在 甲醇 作用下， 以 甲醇 为溶剂， 反应 9.0h， 生成 Calcium;3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;3-[(2,4-dihydroxy-3,3-dimethyl-1-oxidobutylidene)amino]propanoate
  参考文献：
  名称：

  Process for the production of the calcium salt of pantothenic acid

  摘要：

  本文描述了一种改进的过程，用于制备dl-泛酸钙，其中无水的B-丙氨酸钙盐在甲醇溶液中与dl-泛酮直接进行一步反应。 B-丙氨酸盐通过用丙烯腈与氨反应制备，形成的B-氨基丙腈在50％氢氧化钠中水解，然后将钠盐与能与水形成共沸混合物的液体中的氯化钙溶液反应，任何过量的氢氧化钠通过盐酸中和，水通过共沸蒸馏去除。 然后将反应混合物溶解在甲醇中，并直接与dl-泛酮反应。

  公开号：

  US03935256A1

文献信息

• NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF
  申请人：Kang Dong Wook

  公开号：US20100197685A1

  公开（公告）日：2010-08-05

  The present invention relates to the novel benzofuran derivatives, the preparation thereof and the composition comprising the same. The benzofuran derivatives of the present invention showed potent inhibiting activity of beta-amyloid aggregation and cell cytotoxicity resulting in stimulating the proliferation of neuronal cells as well as recovering activity of memory learning injury caused by neuronal cell injury using transformed animal model with beta-amyloid precursor gene, therefore the compounds can be useful in treating or preventing cognitive function disorder.

  本发明涉及新型苯并呋喃衍生物，其制备方法以及包含该衍生物的组合物。本发明的苯并呋喃衍生物显示出强大的β-淀粉样蛋白聚集抑制活性和细胞毒性，从而刺激神经细胞的增殖，并恢复由神经细胞损伤引起的记忆学习损伤的活性，使用带有β-淀粉样前体基因的转化动物模型，因此这些化合物可用于治疗或预防认知功能障碍。
• HYBRID ANTICANCER PRODRUG SIMULTANEOUSLY PRODUCING CINNAMALDEHYDE AND QUINONE METHIDE AND METHOD FOR PREPARING SAME
  申请人：INDUSTRIAL COOPERATION FOUNDATION CHONBUK NATIONAL UNIVERSITY

  公开号：US20170014518A1

  公开（公告）日：2017-01-19

  The present invention relates to a hybrid anticancer prodrug simultaneously producing cinnamaldehyde and quinone methide. The hybrid anticancer prodrug according to the present invention sequentially releases quinone methide and cinnamaldehyde by H 2 O 2 and acidic pH, and thus alkylates antioxidant GSH through the release of quinone methide, thereby inhibiting an antioxidative system and increasing oxidation stress, and generates and accumulates reactive oxygen species (ROS) through the release of cinnamaldehyde, thereby promoting apoptosis, and thus the hybrid anticancer prodrug according to the present invention can be favorably used as an anticancer drug by creating a synergetic anticancer effect through double stimulus-response and sequential treatment action in a cancer cell-specific manner.

  本发明涉及一种同时产生肉桂醛和醌甲醚的杂合抗癌前药。根据本发明的杂合抗癌前药通过过氧化氢和酸性pH依次释放醌甲醚和肉桂醛，从而通过释放醌甲醚来烷基化抗氧化剂GSH，抑制抗氧化系统并增加氧化应激，并通过释放肉桂醛产生和积累活性氧种（ROS），从而促进凋亡，因此，根据本发明的杂合抗癌前药可以通过在癌细胞特异性方式下的双重刺激-响应和顺序治疗作用产生协同抗癌效果，从而可以作为抗癌药物有利地使用。
• [EN] PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT<br/>[FR] DÉRIVÉS DE PYRAZOLOPYRIMIDINE, LEUR PROCÉDÉ DE PRÉPARATION ET COMPOSITION PHARMACEUTIQUE POUR UTILISATION DANS LA PRÉVENTION OU LE TRAITEMENT DU CANCER, D'UNE MALADIE AUTO-IMMUNE ET D'UNE MALADIE DU CERVEAU CONTENANT CEUX-CI EN TANT QUE PRINCIPE ACTIF
  申请人：KOREA RES INST CHEMICAL TECH

  公开号：WO2018208132A1

  公开（公告）日：2018-11-15

  The present invention relates to a pyrazolopyrimidine derivative, a preparation method thereof and a pharmaceutical composition comprising the same as an active ingredient for the prevention or treatment of cancer, autoimmune disease and brain disease. The pyrazolopyrimidine derivative of the present invention exhibits excellent Bruton's tyrosine kinase inhibition activity, so that it can be effectively used as a pharmaceutical composition for the prevention or treatment of cancer, autoimmune disease and Parkinson's disease.

  本发明涉及一种吡唑并嘧啶衍生物，其制备方法以及包含该衍生物作为活性成分的药物组合物，用于预防或治疗癌症、自身免疫病和脑病。本发明的吡唑并嘧啶衍生物展现出卓越的布鲁顿酪氨酸激酶抑制活性，因此可以有效地用作预防或治疗癌症、自身免疫病和帕金森病的药物组合物。
• Novel use of flavones
  申请人：——

  公开号：US20010046963A1

  公开（公告）日：2001-11-29

  A pharmaceutical composition for inhibiting COX- 2 biosynthesis comprising a therapeutically effective amount of the compound of formula I and a pharmaceutrically acceptable carrier. 1 wherein R 1 and R 4 represent either Hydrogen or together a bond R 5 , R 6 , R 7 , R 8 represent independently of each other Hydrogen, Hydroxy or Methoxy; in addition R 7 represents a sugar substituent like glucoside, rutinosid, manno gluco pyransyl, aprosylglucoside R 2 and R 3 represent Hydrogen, Hydroxy, Methoxy or 2 wherein R 2 ′, R 3 ′, R 4 ′, R 5 ′ and R 6 ′ are independently or each other Hydrogen, Hydroxy or Methoxy with the proviso, that R 2 or R 3 is represented by the optionally substituted Phenylring.

  一种用于抑制COX-2生物合成的药物组合物，包括化合物I的治疗有效量和药用可接受的载体。 其中R1和R4代表氢或一起表示键 R5、R6、R7、R8分别独立地表示氢、羟基或甲氧基；此外，R7表示糖取代物，如葡萄糖苷、鲁丁苷、甘露葡糖吡喃基、阿普罗西糖苷 R2和R3表示氢、羟基、甲氧基或 其中R2'、R3'、R4'、R5'和R6' 分别或彼此独立地表示氢、羟基或甲氧基，条件是R2或R3由可选择取代的苯环表示。
• [EN] AMINO ACID DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS<br/>[FR] DÉRIVÉS D'ACIDES AMINÉS ET LEUR UTILISATION EN TANT QUE MODIFICATEURS DE GOÛT
  申请人：FIRMENICH & CIE

  公开号：WO2021209345A1

  公开（公告）日：2021-10-21

  The present invention provides derivatives of glutamine of formula (I) and derivatives of arginine of formula (II), and the use of such compounds as flavor modifiers. The invention further provides the use of such derivatives of glutamine and arginine to enhance the salty and umami taste of ingestible compositions as ingestible compositions that include such derivatives of glutamine and arginine and bulking agents.

  本发明提供了公式(I)的谷氨酰衍生物和公式(II)的精氮酸衍生物，以及将这些化合物用作风味调节剂的用途。该发明进一步提供了利用这些谷氨酰和精氮酸衍生物增强可摄入组合物的咸味和鲜味的用途，作为包含这些谷氨酰和精氮酸衍生物以及增稠剂的可摄入组合物。

表征谱图