N-acetyl-3,5-dibromotyrosine | 10346-26-6

• 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: N-acetyl-3,5-dibromotyrosine
• 英文别名: N-acetyl-3,5-dibromo-DL-tyrosine；N-Acetyl-3,5-dibrom-DL-tyrosin；N-Acetyl-3,5-dibrom-tyrosin；Acetyl-3,5-dibrom-L-tyrosin；2-acetamido-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid
• CAS: 10346-26-6
• 化学式: C₁₁H₁₁Br₂NO₄
• 分子量: 381.021
• InChiKey: FNGNLZLLBCYMOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  86.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-acetyl-3,5-dibromotyrosine 在 (S)-(-)- α-甲基苄胺 作用下， 生成 N-acetyl-3,5-dibromo-D-tyrosine
  参考文献：
  名称：

  N-Acylamino Acids, A New Class of Resolving Agents¹

  摘要：

  DOI：

  10.1021/ja01156a088
• 作为产物：
  描述：

  DL-酪氨酸 在 溴 、 溶剂黄146 作用下， 生成 N-acetyl-3,5-dibromotyrosine
  参考文献：
  名称：

  N-Acylamino Acids, A New Class of Resolving Agents¹

  摘要：

  DOI：

  10.1021/ja01156a088

文献信息

• [EN] SELENO-COMPOUNDS AND THERAPEUTIC USES THEREOF<br/>[FR] COMPOSÉS SÉLÉNO ET LEURS UTILISATIONS THÉRAPEUTIQUES
  申请人：UNIV MELBOURNE

  公开号：WO2012054988A1

  公开（公告）日：2012-05-03

  The present invention relates to compounds and compositions useful as antioxidants and in particular to selenium containing compounds of formula (I): wherein n is 1, 2, or 3; m is 2, 3, 4, or 5; and each R] is independently -(optionally substituted C 1 -C3 alkylene) p-OH, where p is 0 or 1, or a salt thereof. The invention also relates to the use of these seleno-compounds in the treatment of diseases or conditions associated with increased levels of oxidants produced by myeloperoxidase (MPO), such as for instance, atherosclerosis.

  本发明涉及作为抗氧化剂有用的化合物和组合物，特别是公式(I)中含硒的化合物，其中n为1、2或3；m为2、3、4或5；每个R]独立地为-(可选择地取代的C1-C3烷基) p-OH，其中p为0或1，或其盐。该发明还涉及在治疗由髓过氧化物酶(MPO)产生的氧化剂水平增加引起的疾病或症状中使用这些硒化合物，例如动脉粥样硬化。
• [EN] OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME<br/>[FR] DERIVES DE 1-( PHENYLE A SUBSTITUTION FLUORO,TRIFLUOROMETHYLE OU TRIFLUOROMETHOXY)ALKYLAMINE N-MONOALKYLE OPTIQUEMENT ACTIFS ET LEUR PROCEDE DE PRODUCTION
  申请人：CENTRAL GLASS CO LTD

  公开号：WO2004022521A1

  公开（公告）日：2004-03-18

  An optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy-substituted phenyl)alkylamine N-monoalkyl derivative represented by the formula [4] is produced by a process including (a) reacting an optically active secondary amine, represented by the formula [1], with an alkylation agent R2-X, in the presence of a base, thereby converting the secondary amine into an optically active tertiary amine represented by the formula [3]; and (b) subjecting the tertiary amine to a hydrogenolysis, thereby producing the N-monoalkyl derivative,wherein R represents a fluorine atom, trifluoromethyl group or trifluoromethoxy group, n represents an integer of from 1 to 5, each of R1 and R2 independently represents an alkyl group having a carbon atom number of from 1 to 6, Me represents a methyl group, Ar represents a phenyl group or 1- or 2-naphthyl group, * represents a chiral carbon, and X represents a leaving group.

  通过以下过程制备一种光学活性的1-(氟代、三氟甲基或三氟甲氧基取代的苯基)烷基胺N-单烷基衍生物，其化学式如下[4]：(a) 用碱存在下，将光学活性的二级胺（化学式[1]表示）与烷基化剂R2-X反应，从而将二级胺转化为光学活性的三级胺（化学式[3]表示）；(b) 将三级胺进行氢解作用，从而生成N-单烷基衍生物，其中R代表氟原子、三氟甲基基团或三氟甲氧基团，n代表1至5之间的整数，R1和R2分别代表具有1至6个碳原子的烷基基团，Me代表甲基基团，Ar代表苯基或1-或2-萘基，*代表一个手性碳，X代表一个离去基团。
• [EN] PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS<br/>[FR] PROCESSUS DE PRÉPARATION DE COMPOSÉS INHIBITEURS DE RHO-KINASE
  申请人：INSPIRE PHARMACEUTICALS INC

  公开号：WO2009154940A1

  公开（公告）日：2009-12-23

  The present invention is directed to practical high-yielding synthetic processes to prepare compounds of general Formula III, IV, V, VII, VIII, IX, X, XII, XIV, and XV. Such compounds are useful as final products or can be used as intermediates and be further modified to prepare other desired products such as rho-kinase inhibitors. The present invention is also directed to certain novel compounds and/or novel solid forms of certain compounds.

  本发明旨在提供实用的高产率合成工艺，用于制备一般化学式III、IV、V、VII、VIII、IX、X、XII、XIV和XV的化合物。这些化合物可用作最终产品，也可用作中间体，并可进一步修改以制备其他所需产品，如rho-激酶抑制剂。本发明还涉及某些新颖化合物和/或某些化合物的新颖固体形式。
• Optically active (R)-1- (4-trifluoromethylphenyl) ethylamine
  申请人：Central Glass Company, Limited

  公开号：US20040024253A1

  公开（公告）日：2004-02-05

  Optically active (R)-1-(4-trifluoromethylphenyl)ethylamine is a novel compound as an important intermediate for medicines and agricultural chemicals. This compound can be obtained with high optical purity and high yield by a process including the steps of (a) a dehydrocondensation of 4′-(trifluoromethyl)acetophenone and an optically active (R)-1-phenylethylamine to obtain an optically active imine; (b) asymmetrically reducing the imine into an optically active secondary amine; (c) reacting the amine with an organic acid (phthalic acid or benzenesulfonic acid), thereby obtaining a product that is a phthalate of or benzenesulfonate of the amine; (d) subjecting the product of the step (c) to a hydrogenolysis, thereby obtaining a product that is a phthalate of or benzenesuilfonate of optically active (R)-1-(4-trifluoromethylphenyl)ethylamine; and (e) neutralizing the product of the step (d) into the optically active (R)-1-(4-trifluoromethylphenyl)ethylamine.

  光学活性的(R)-1-(4-三氟甲基苯基)乙胺是一种重要的药物和农业化学品中间体。该化合物可以通过以下步骤获得高光学纯度和高产率：(a)将4'-(三氟甲基)乙酮和光学活性(R)-1-苯乙胺脱水缩合得到光学活性亚胺；(b)将亚胺不对称还原为光学活性二级胺；(c)将胺与有机酸(邻苯二甲酸或苯磺酸)反应，从而获得胺的邻苯二甲酸盐或苯磺酸盐产物；(d)将步骤(c)的产物经过氢解，从而获得光学活性(R)-1-(4-三氟甲基苯基)乙胺的邻苯二甲酸盐或苯磺酸盐产物；(e)将步骤(d)的产物中和成光学活性(R)-1-(4-三氟甲基苯基)乙胺。
• PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS
  申请人：She Jin

  公开号：US20100022775A1

  公开（公告）日：2010-01-28

  The present invention is directed to practical high-yielding synthetic processes to prepare compounds of general Formula III, IV, V, VII, VIII, IX, X, XII, XIV, and XV. Such compounds are useful as final products or can be used as intermediates and be further modified to prepare other desired products such as rho-kinase inhibitors. The present invention is also directed to certain novel compounds and/or novel solid forms of certain compounds.

  本发明涉及实用的高产率合成过程，用于制备通式III、IV、V、VII、VIII、IX、X、XII、XIV和XV的化合物。这些化合物可用作最终产品，也可用作中间体，并进一步改性以制备其他所需产品，如rho-激酶抑制剂。本发明还涉及某些新颖化合物和/或某些化合物的新颖固态形式。