DL-对羟基苯甘氨酸甲酯盐酸盐 | 56405-21-1

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 甘氨酸类衍生物
• 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: DL-对羟基苯甘氨酸甲酯盐酸盐
• 英文名称: p-hydroxyphenylglycine methyl ester
• 英文别名: DL-p-hydroxyphenylglycine methyl ester；methyl N-(4-hydroxyphenyl)-glycinate；D-4-hydroxyphenylglycine methyl ester；4-hydroxyphenyl-glycine methyl ester；N-(4-hydroxy-phenyl)-glycine methyl ester；N-(4-Hydroxy-phenyl)-glycin-methylester；4-Oxy-anilinoessigsaeure-methylester；L-p-hydroxyphenylglycine methylester；methyl D-p-hydroxyphenylglycinate；D-p-hydroxyphenylglycine methyl ester；Methyl 2-((4-hydroxyphenyl)amino)acetate；methyl 2-(4-hydroxyanilino)acetate
• CAS: 56405-21-1
• 化学式: C₉H₁₁NO₃
• 分子量: 181.191
• InChiKey: DKLZRLRMFNWRFB-UHFFFAOYSA-N

物化性质

• 溶解度：
  可溶于氯仿（少许）、DMSO（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2922509090
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P330,P363,P501
• 危险性描述：
  H302,H312,H332
• 储存条件：
  保存在2-8°C的环境中，密封、干燥并避免光照。

反应信息

• 作为反应物：
  描述：

  [1-(pyridin-4-yl)piperidin-4-yl]acetic acid 、 DL-对羟基苯甘氨酸甲酯盐酸盐 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 4-Methyloxycarbonylmethylaminophenyl [1-(pyridin-4-yl)piperidin-4-yl]acetate
  参考文献：
  名称：

  Heterocyclic compouds

  摘要：

  通式（M.sup.1).sub.n --Q--(M.sup.2).sub.1-n --L--A I的化合物，其中：n为0或1；M.sup.1为氨基；Q为含有碱性氮原子的芳香杂环基团；M.sup.2为亚胺基；L为模板基团；A为酸性基团，或其酯或酰胺衍生物，或磺酰胺基团；以及其药学上可接受的盐和前药，用于治疗通过粘附分子结合到GPIIb-IIIa介导的血小板聚集参与的疾病。还披露了新的化合物。

  公开号：

  US05753659A1
• 作为产物：
  描述：

  2-((4-hydroxyphenyl)amino)acetonitrile 在 盐酸 、 sodium hydroxide 作用下， 生成 DL-对羟基苯甘氨酸甲酯盐酸盐
  参考文献：
  名称：

  Shimo, Bulletin of the Chemical Society of Japan, 1926, vol. 1, p. 228

  摘要：

  DOI：

文献信息

• [EN] HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES UTILISABLES EN TANT QU'INHIBITEURS DES JANUS KINASES
  申请人：BIOCRYST PHARM INC

  公开号：WO2013033093A1

  公开（公告）日：2013-03-07

  The invention provides compounds of formula I: (I) or a salt thereof as described herein. The invention also provides pharmaceutical compositions comprising a compound of formula I, processes for preparing compounds of formula I, intermediates useful for preparing compounds of formula I and therapeutic methods for suppressing an immune response or treating cancer, including a hematologic malignancy, using compounds of formula I.

  该发明提供了如下式I的化合物：(I)或其盐，如本文所述。该发明还提供了包括如下式I的化合物的药物组合物，制备如下式I的化合物的方法，用于制备如下式I的化合物的有用中间体，以及使用如下式I的化合物抑制免疫反应或治疗癌症，包括血液恶性肿瘤的治疗方法。
• Lactam metalloprotease inhibitors
  申请人：E. I. du Pont de Nemours and Company

  公开号：US06057336A1

  公开（公告）日：2000-05-02

  The present application describes novel lactams and derivatives thereof of formula I: ##STR1## or pharmaceutically acceptable salt forms thereof, wherein rings ring B is a 4-8 membered cyclic amide containing from 0-3 additional heteroatoms selected from N, O, and S, which are useful as metalloprotease inhibitors.

  本申请描述了新颖的内酰胺及其衍生物，化学式如下：##STR1##或其药用盐形式，其中环B是一个含有0-3个额外杂原子（N、O和S）的4-8元环酰胺，可用作金属蛋白酶抑制剂。
• [EN] NOVEL 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF ß-SECRETASE (BACE)<br/>[FR] NOUVEAUX DERIVES DE 2-AMINO-QUINAZOLINE UTILES EN TANT QU'INHIBITEURS DE LA $G(B)-SECRETASE (BACE)
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2006017844A1

  公开（公告）日：2006-02-16

  The present invention is directed to novel 2-amino-3,4-dihydro-quinazoline derivatives, pharmaceutical compositions containing them and their use in the treatment of Alzheimer’s disease (AD) and related disorders. The compounds of the invention are inhibitors of β-secretase, also known as β-site cleaving enzyme and BACE.

  本发明涉及新颖的2-氨基-3,4-二氢喹唑啉衍生物，包含它们的药物组合物以及它们在治疗阿尔茨海默病（AD）和相关疾病中的用途。本发明的化合物是β-分泌酶的抑制剂，也被称为β-位点裂解酶和BACE。
• Beta-thiopropionyl-amino acid derivatives and their use as
  申请人：SmithKline Beecham P.L.C.

  公开号：US06156774A1

  公开（公告）日：2000-12-05

  Mercapto amino acid derivatives of formula (I), wherein R is hydrogen, a salt-forming cation of a in vivo hydrolysable ester-forming group; R.sub.1 is selected from (a) and (b) in which A is a monocyclic aryl or heteroaryl ring and B is a monocyclic aryl, alicyclic or heterocyclic ring, C and D are independently --Z.sub.p --(CR.sub.8 CR.sub.9).sub.q -- or --(CR.sub.8 CR.sub.9).sub.q --Z.sub.p -- where p is 0 or 1, q is 0 to 3 provided that p+q in C is not 0, R.sub.8 and R.sub.9 are independently hydrogen or (C.sub.1-6)alkyl or together represent oxo and Z is O, NR.sub.10 or S(O).sub.x where R.sub.10 is hydrogen, (C.sub.1-6)alkyl or aryl(C.sub.1-6)alkyl and x is 0-2, and wherein C and D are linked ortho to one another on each of the rings A and B in formula (b); R.sub.2 is hydrogen, (C.sub.1-6)alkyl or aryl(C.sub.1-6)alkyl; R.sub.3 is hydrogen, (C.sub.1-6)alkyl optionally substituted by up to three halogen atoms, (C.sub.3-7)cycloalkyl, fused aryl(C.sub.3-7)cycloalkyl, (C.sub.3-7)cycloalkyl(C.sub.2-6)alkyl, (C.sub.2-6)alkenyl, (C.sub.2-6)alkynyl, aryl, aryl--(CH.sub.2).sub.m --X--(CH.sub.2).sub.n, heterocyclyl or heterocyclyl--(CH.sub.2).sub.m --X--(CH.sub.2).sub.n, where m is 0 to 3, n is 1 to 3 and X is O or S(O).sub.x where x is 0-2 or a bond; R.sub.4 is hydrogen or an in vivo hydrolysable acyl group; and R.sub.5 and R.sub.6 are independently hydrogen and (C.sub.1-6)alkyl or together represent (CH.sub.2).sub.r, where r is 2 to 5; for use in treatment of bacterial infections in humans or animals by administration in combination with a .beta.-lactam antiobiotic.

  公式(I)中的巯基氨基酸衍生物，其中R为氢，是体内可水解酯形成基团的盐形成阳离子；R.sub.1是从(a)和(b)中选择的，其中A是单环芳基或杂环芳基环，B是单环芳基、脂环或杂环环，C和D分别为--Z.sub.p --(CR.sub.8 CR.sub.9).sub.q --或--(CR.sub.8 CR.sub.9).sub.q --Z.sub.p --，其中p为0或1，q为0到3，前提是C中的p+q不为0，R.sub.8和R.sub.9独立地为氢或(C.sub.1-6)烷基，或一起代表氧代和Z为O、NR.sub.10或S(O).sub.x，其中R.sub.10为氢、(C.sub.1-6)烷基或芳基(C.sub.1-6)烷基，x为0-2，且C和D在公式(b)中的环A和B上相互连接；R.sub.2为氢、(C.sub.1-6)烷基或芳基(C.sub.1-6)烷基；R.sub.3为氢、(C.sub.1-6)烷基，可选地被高达三个卤原子取代，(C.sub.3-7)环烷基，融合的芳基(C.sub.3-7)环烷基，(C.sub.3-7)环烷基(C.sub.2-6)烷基，(C.sub.2-6)烯烃基，(C.sub.2-6)炔烃基，芳基，芳基--(CH.sub.2).sub.m --X--(CH.sub.2).sub.n，杂环基或杂环基--(CH.sub.2).sub.m --X--(CH.sub.2).sub.n，其中m为0到3，n为1到3，X为O或S(O).sub.x，其中x为0-2或一个键；R.sub.4为氢或体内可水解的酰基；R.sub.5和R.sub.6独立地为氢和(C.sub.1-6)烷基，或一起代表(CH.sub.2).sub.r，其中r为2到5；用于治疗人类或动物的细菌感染，通过与β-内酰胺抗生素联合给药。
• [EN] 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF B-SECRETASE (BACE)<br/>[FR] DERIVES DE 2-AMINO-QUINAZOLINE UTILES EN TANT QU'INHIBITEURS DE B-SECRETASE (BACE)
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2006024932A1

  公开（公告）日：2006-03-09

  The present invention is directed to novel 2-amino-3,4-dihydro­quinazoline derivatives, pharmaceutical compositions containing them and their use in the treatment of Alzheimer's disease (AD) and related disorders. The compounds of the invention are inhibitors of ß-secretase, also known as ß-site cleaving enzyme and BACE.

  本发明涉及新型2-氨基-3,4-二氢喹唑啉衍生物，包含它们的药物组合物以及其在治疗阿尔茨海默病（AD）和相关疾病中的用途。该发明的化合物是ß-分泌酶抑制剂，也称为ß-位点裂解酶和BACE。