1-(3-叔-丁基苯基)甲胺 | 140233-60-9

• 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
• 中文名称: 1-(3-叔-丁基苯基)甲胺
• 中文别名: (2S)-2-氨基-3-[4-(羧甲基)苯基]丙酸
• 英文名称: 4-Carboxymethylphenylalanine
• 英文别名: (2S)-2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid
• CAS: 140233-60-9
• 化学式: C₁₁H₁₃NO₄
• 分子量: 223.22
• InChiKey: LJHYWUVYIKCPGU-VIFPVBQESA-N

物化性质

• 沸点：
  446.0±40.0 °C(Predicted)
• 密度：
  1.353±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  101
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• [EN] SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE<br/>[FR] RADIOFLUORATION SPÉCIFIQUE DE SITE DE PEPTIDES AVEC DE L'ACIDE 8-[18F]FLUOROOCTANOÏQUE CATALYSÉE PAR UNE ACIDE LIPOÏQUE LIGASE
  申请人：UNIV CALIFORNIA

  公开号：WO2017095806A1

  公开（公告）日：2017-06-08

  New methodologies for site-specifically radiolabeling proteins with the PET isotope [18F] are required to generate high quality radiotracers for imaging in both the preclinical and clinical settings. The enzymatic radiofluorination overcomes many of the limitations encountered to date with purely chemical approaches. The bacterial enzyme lipoic acid ligase was used to conjugate [18F]-fluorooctanoic acid to both a small peptide and a Fab antibody fragment. Labeling was site-specific and highly efficient under mild aqueous conditions using small amounts of peptide/protein (1-10 nmol). The labeled construct retained full epitope binding affinity and was stable in mouse serum. Using an optimized reaction scheme, mCi quantities of [18F]-Fab were generated, an amount sufficient for human imaging.

  用PET同位素[18F]对蛋白质进行特异性标记的新方法对于在临床前和临床环境中生成高质量放射示踪剂是必需的。酶促放氟反应克服了迄今为止纯化学方法所遇到的许多限制。细菌酶硫辛酸连接酶被用于将[18F]-氟辛酸与小肽和Fab抗体片段结合。在温和水性条件下，使用少量的肽/蛋白质（1-10 nmol），标记是特异性的且高效的。标记的构建物保留了完整的抗原结合亲和力，并在小鼠血清中稳定。使用优化的反应方案，产生了足够进行人体成像的mCi数量的[18F]-Fab。
• LIVER X RECEPTOR AGONISTS AND USES THEREOF
  申请人：The California Institute for Biomedical Research

  公开号：US20160324981A1

  公开（公告）日：2016-11-10

  Disclosed herein are antibody drug conjugates having an antibody or antibody fragment that binds a cell surface molecule on a target cell, wherein the target cell is a lymphocyte and a therapeutic agent that has a therapeutic effect in a subject in need thereof. Further disclosed herein are antibody drug conjugates having an antibody or antibody fragment that binds a cell surface molecule on a target cell; and a therapeutic agent that binds an intracellular moiety of the target cell. These antibody drug conjugates may be used for treating cardiovascular diseases.

  本文披露了一种抗体药物结合物，其具有结合靶细胞表面分子的抗体或抗体片段，其中所述靶细胞是淋巴细胞，并且具有对需要治疗的受体产生治疗效果的治疗剂。本文还披露了一种抗体药物结合物，其具有结合靶细胞表面分子的抗体或抗体片段；以及结合靶细胞的细胞内部分子的治疗剂。这些抗体药物结合物可用于治疗心血管疾病。
• Viral polymerase inhibitors
  申请人：——

  公开号：US20020065418A1

  公开（公告）日：2002-05-30

  A compound of the formula I: 1 wherein: X is CH or N; Y is O or S; Z is OH, NH 2 , NMeR 3 , NHR 3 ; OR 3 or 5- or 6-membered heterocycle, having 1 to 4 heteroatoms selected from 0, N and S, said heterocycle being optionally substituted with from 1 to 4 substituents; A is N, COR 7 or CR 5 , wherein R 5 is H, halogen, or (C 1-6 ) alkyl and R 7 is H or (C 1-6 alkyl), with the proviso that X and A are not both N; R 6 is H, halogen, (C 1-6 alkyl) or OR 7 , wherein R 7 is H or (C 1-6 alkyl); R 1 is selected from the group consisting of 5- or 6-membered heterocycle having 1 to 4 heteroatoms selected from O, N, and S, phenyl, phenyl(C 1-3 )alkyl, (C 2-6 )alkenyl, phenyl(C 2-6 )alkenyl, (C 3-6 )cycloalkyl, (C 1-6 )alkyl, CF 3 , 9- or 10-membered heterobicycle having 1 to 4 heteroatoms selected from O, N and S, wherein said heterocycle, phenyl, phenyl(C 2-6 )alkenyl and phenyl(C 1-3 )alkyl), alkenyl, cycloalkyl, (C 1-6 )alkyl, and heterobicycle are all optionally substituted with from 1 to 4 substituents R 2 is selected from (C 1-6 )alkyl, (C 3-7 )cycloalkyl, (C 3-7 )cycloalkyl(C 1-3 )alkyl, (C 6-10 )bicycloalkyl, adamantyl, phenyl, and pyridyl, all of which is optionally substituted with from1 to 4 substituents; R 3 is selected from H, (C 1-6 )alkyl, (C 3-6 )cycloalkyl, (C 3 6 )cycloalkyl(C 1-6 )alkyl, (C 6-10 )aryl, (C 6-10 )aryl(C 1-6 )alkyl, (C 2-6 )alkenyl, (C 3-6 )cycloalkyl(C 2-6 )alkenyl, (C 6-10 )aryl(C 2-6 )alkenyl, N{(C 1-6 )alkyl} 2 , NHCOO(C 1-6 )alkyl(C 6-10 )aryl, NHCO(C 6-10 )aryl, (C 1-6 )alkyl-5- or 10-atom heterocycle, having 1 to 4 heteroatoms selected from O, N and S, and 5- or 10-atom heterocycle having 1 to 4 heteroatoms selected from O, N and S; wherein said alkyl, cycloalkyl, aryl, alkenyl and heterocycle are all optionally substituted with from 1 to 4 substituents; n is zero or 1; or a detectable derivative or salt thereof. The compounds of the invention may be used as inhibitors of hepatitis C virus replication. The invention further provides a method for treating or preventing hepatitis C virus infection.

  该化合物的结构式为I:1，其中：X为CH或N；Y为O或S；Z为OH、NH2、NMeR3、NHR3、OR3或含有1至4个异原子（0、N和S）的5-或6-成员杂环，该杂环可选择性地与1至4个取代基取代；A为N、COR7或CR5，其中R5为H、卤素或（C1-6）烷基，R7为H或（C1-6）烷基，但X和A不能同时为N；R6为H、卤素、（C1-6）烷基或OR7，其中R7为H或（C1-6）烷基；R1选自包括含有1至4个异原子（O、N和S）的5-或6-成员杂环、苯基、苯基（C1-3）烷基、（C2-6）烯基、苯基（C2-6）烯基、（C3-6）环烷基、（C1-6）烷基、CF3、含有1至4个异原子（O、N和S）的9-或10-成员杂环的群体，其中该杂环、苯基、苯基（C2-6）烯基和苯基（C1-3）烷基、烯基、环烷基、（C1-6）烷基和杂环均可选择性地与1至4个取代基取代；R2选自（C1-6）烷基、（C3-7）环烷基、（C3-7）环烷基（C1-3）烷基、（C6-10）双环烷基、金刚烷基、苯基和吡啶基，所有这些基均可选择性地与1至4个取代基取代；R3选自H、（C1-6）烷基、（C3-6）环烷基、（C3-6）环烷基（C1-6）烷基、（C6-10）芳基、（C6-10）芳基（C1-6）烷基、（C2-6）烯基、（C3-6）环烷基（C2-6）烯基、（C6-10）芳基（C2-6）烯基、N(C1-6)烷基2、NHCOO(C1-6)烷基（C6-10）芳基、NHCO（C6-10）芳基、（C1-6）烷基-含有1至4个异原子（O、N和S）的5-或10-原子杂环和含有1至4个异原子（O、N和S）的5-或10-原子杂环；其中所述烷基、环烷基、芳基、烯基和杂环均可选择性地与1至4个取代基取代；n为零或1；或其可检测衍生物或盐。该发明的化合物可用作乙型肝炎病毒复制的抑制剂。该发明还提供了一种治疗或预防乙型肝炎病毒感染的方法。
• RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：The Johns Hopkins University

  公开号：US20210094933A1

  公开（公告）日：2021-04-01

  The present disclosure provides macrocyclic compounds inspired by the immunophilin ligand family of natural products FK506 and rapamycin. The generation of a Rapafucin library of macrocyles that contain FK506 and rapamycin binding domains should have great potential as new leads for developing drugs to be used for treating diseases.

  本公开提供了受免疫蛋白配体家族FK506和雷帕霉素天然产物启发的大环化合物。生成包含FK506和雷帕霉素结合结构域的Rapafucin大环化合物库，应具有作为治疗疾病新药的潜力。
• [EN] METHOD FOR PREPARATION OF N-ACYL PEPTIDES, POLYPEPTIDES AND PROTEINS<br/>[FR] PROCÉDÉ DE PRÉPARATION DE PEPTIDES, POLYPEPTIDES ET PROTÉINES N-ACYLÉS
  申请人：NEODEL TEC LTD

  公开号：WO2016157177A1

  公开（公告）日：2016-10-06

  A method is provided for the preparation of an N-acyl peptide, N-acyl polypeptide or N-acyl protein comprising reacting a peptide, polypeptide or protein with an acyl halide in the presence of the biologically compatible tertiary amine nicotinamide as catalyst, thus obtaining the desired N-acyl peptide, N-acyl polypeptide or N-acyl protein.

  提供了一种制备N-酰肽，N-酰多肽或N-酰蛋白的方法，包括在生物相容的三级胺烟酰胺存在下，将肽，多肽或蛋白与酰卤反应，从而获得所需的N-酰肽，N-酰多肽或N-酰蛋白。