3-amino-4-(4-hydroxy-phenyl)-butan-2-one | 91011-99-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-amino-4-(4-hydroxy-phenyl)-butan-2-one
• 英文别名: 3-Amino-4-(4-hydroxy-phenyl)-butan-2-on；α-Amino-α-(4-oxy-benzyl)-aceton；3-Amino-4-(4-hydroxyphenyl)-2-butanone；3-amino-4-(4-hydroxyphenyl)butan-2-one
• CAS: 91011-99-3
• 化学式: C₁₀H₁₃NO₂
• 分子量: 179.219
• InChiKey: GZKMJHFMJZLQHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-amino-4-(4-hydroxy-phenyl)-butan-2-one 在 ammonium hydroxide 作用下， 生成 2,5-bis(4-hydroxybenzyl)-3,6-dimethylpyrazine
  参考文献：
  名称：

  Levene; Steiger, Journal of Biological Chemistry, 1928, vol. 79, p. 100

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氢碘酸 、 溶剂黄146 作用下， 生成 3-amino-4-(4-hydroxy-phenyl)-butan-2-one
  参考文献：
  名称：

  Thaller, Arhiv za Kemiju, 1955, vol. 27, p. 193

  摘要：

  DOI：

文献信息

• [EN] NOVEL HYPOGLYCEMIC COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS HYPOGLYCÉMIQUES
  申请人：CADILA PHARMACEUTICALS LTD

  公开号：WO2011125011A1

  公开（公告）日：2011-10-13

  The present invention relates to novel hypoglycemic compounds of formula (1) and pharmaceutically acceptable salts thereof. The invention relates to novel amino acid derivatives of the formula (1), wherein, A is amino acid B is peptide bond R-NH- wherein R is defined in the specification

  本发明涉及公式（1）的新型降糖化合物及其药用盐。该发明涉及公式（1）的新型氨基酸衍生物，其中，A为氨基酸，B为肽键R-NH-其中R在规范中定义。
• [EN] AMPHIPHILIC MONOMERS BASED NANOVECTORS AND THEIR USE FOR SIRNA DELIVERY<br/>[FR] NANOVECTEURS À BASE DE MONOMÈRES AMPHIPHILES ET LEUR UTILISATION POUR L'ADMINISTRATION D'ANRSI
  申请人：UNIV STRASBOURG

  公开号：WO2017167929A1

  公开（公告）日：2017-10-05

  Amphiphilic monomer of formula (I); wherein L1 is CH3(CH2)m, with m being an integer from 1 to 24, L2 is -CH2(CH2)n- CONH-, with n being an integer from 1 to 24, X is -(CH2yO-(CH2CH2O)P(CH2)r- NH-, with t and t' being independently from each other 2 or 3 and p being an integer from 2 to 500 and Z is H or a positively charged group selected from natural or non natural amino acid residues, carboxylated polyamines residues, and peptides comprising from 2 to 5 amino acids, at least one of said amino-acids being an histidine residue, their physiologically acceptable salts and their use in transfection and delivery methods.

  公式（I）的两性单体；其中L1为CH3(CH2)m，其中m为1到24的整数，L2为- ( )n-CONH-，其中n为1到24的整数，X为-( yO-( O)P( )r-NH-，其中t和t'独立地为2或3，p为2到500的整数，Z为H或从天然或非天然氨基酸残基、羧化聚胺残基和包含2到5个氨基酸的肽中选择的带正电的基团，至少其中一种氨基酸为组氨酸残基，它们的生理上可接受的盐以及它们在转染和传递方法中的用途。
• BISAMIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR REDUCING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN
  申请人：THE GENERAL HOSPITAL CORPORATION

  公开号：US20160331783A1

  公开（公告）日：2016-11-17

  This invention relates to compounds of Formula (I) and pharmaceutically acceptable salts thereof, which are allosteric effectors that reduce the oxygen-binding affinity of hemoglobin, which can enhance the efficacy of radiation therapy for cancer and which are useful for the treatment of ischemia and other conditions.

  本发明涉及式（I）化合物及其药学上可接受的盐，这些化合物是变构效应剂，可以降低血红蛋白的氧结合亲和力，从而增强癌症放疗的疗效，对缺血和其他疾病的治疗也有用。
• [EN] SOLID ORAL DOSAGE FORMS OF 2R,6R-HYDROXYNORKETAMINE OR DERIVATIVES THEREOF<br/>[FR] FORMES POSOLOGIQUES SOLIDES ORALES DE 2R, 6R-HYDROXYNORKÉTAMINE OU LEURS DÉRIVÉS
  申请人：SMALL PHARMA LTD

  公开号：WO2017208031A1

  公开（公告）日：2017-12-07

  This invention relates to solid oral dosage forms of 2R,6R-hydroxynorketamine or prodrugs thereof having Formula Ib, including any pharmaceutically acceptable salt of the foregoing, for use in a therapeutic method for the treatment of a depressive disorder in a patient.

  这项发明涉及具有公式Ib的2R,6R-羟基诺可胺或其前药的固体口服剂型，包括上述任何药用可接受盐，用于治疗患者的抑郁症的治疗方法。
• SELECTIVE INHIBITORS FOR PROTEIN KINASES AND PHARMACEUTICAL COMPOSITION AND USE THEREOF
  申请人：National Chiao Tung University

  公开号：US20160096848A1

  公开（公告）日：2016-04-07

  The present invention provides a compound of formula (I) or the salt thereof: wherein R is at least one selected from the group consisting of unsubstituted C 1-4 alkyl, C 1-4 alkyl substituted by C 6-18 aryl or —OR 1 , and —C(═O)Z. The compound is a type-S protein kinase inhibitor, which binds to an ATP-binding site and a substrate-recognition site of a protein kinase simultaneously. The present invention further provides a pharmaceutical composition, which includes a compound of formula (I) or a salt and a pharmaceutically acceptable carrier thereof. The present invention further provides a use of a compound of formula (I) or a salt thereof, which is for the manufacture of a protein kinase inhibitor as a drug.

  本发明提供了式（I）的化合物或其盐：其中R至少选择自未取代的C1-4烷基，被C6-18芳基或-OR1取代的C1-4烷基，和-C（═O）Z。该化合物是一种类型S蛋白激酶抑制剂，可以同时结合蛋白激酶的ATP结合位点和底物识别位点。本发明还提供了一种制药组合物，包括式（I）的化合物或其盐和其药学上可接受的载体。本发明还提供了一种使用式（I）的化合物或其盐的方法，用于制造蛋白激酶抑制剂作为药物。