(5-苯基-2-四唑)-乙酸 | 21743-68-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: (5-苯基-2-四唑)-乙酸
• 英文名称: 5-phenyl-2H-tetrazolylacetic acid
• 英文别名: 2-(5-phenyl-2H-tetrazol-2-yl)acetic acid；(5-phenyltetrazol-2-yl)acetic acid；(5-phenyl-2H-tetrazol-2-yl)acetic acid；2-(5-phenyltetrazol-2-yl)acetic acid
• CAS: 21743-68-0
• 化学式: C₉H₈N₄O₂
• mdl: MFCD00269327
• 分子量: 204.188
• InChiKey: HXVZLHXCUVJOAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  80.9
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  (5-苯基-2-四唑)-乙酸 在 五氯化磷 、 一水合肼 作用下， 以 四氢呋喃 为溶剂， 生成 (5-苯基-2-四唑)-乙酸肼
  参考文献：
  名称：

  Acylation of Amines with 5-Phenyltetrazol-2-ylacetyl Chloride

  摘要：

  DOI：

  10.1023/b:cohc.0000044567.39872.b0
• 作为产物：
  描述：

  5-苯基四氮唑 在 sodium hydroxide 、 sodium ethanolate 作用下， 反应 20.0h， 生成 (5-苯基-2-四唑)-乙酸
  参考文献：
  名称：

  5-芳基-2H-四唑，5-芳基-2H-四唑-2-乙酸和[（4-苯基-5-芳基-4H-1,2,4-三唑-3-基）硫代]的合成乙酸可能是超氧化物清除剂和抗炎药。

  摘要：

  一系列5-芳基-2H-四唑，5-芳基-2H-四唑-2-乙酸和[（4-苯基-5-芳基-4H-1,2,4-三唑-3-基）硫代合成乙酸，并在体外进行角叉菜胶诱导的大鼠爪水肿测定和反向被动Arthus反应中的超氧化物清除活性测试。羟基取代的化合物可以有效地用作超氧化物的体外清除剂，但不能有效地用作体内抗炎剂。

  DOI：

  10.1021/jm00378a007

文献信息

• Synthesis and antiviral activity of nonannulated tetrazolylpyrimidines
  作者：Vladimir А. Ostrovskii、Gevorg G. Danagulyan、Olga M. Nesterova、Yulia N. Pavlyukova、Vladimir V. Tolstyakov、Olga S. Zarubina、Pavel А. Slepukhin、Yana L. Esaulkova、Anna А. Muryleva、Vladimir V. Zarubaev、Rostislav E. Trifonov

  DOI：10.1007/s10593-021-02922-6

  日期：2021.4

  tetrazolylpyrimidines in the structure of which the heterocyclic fragments are separated by hydrazinocarbonylmethyl, methylpyrazolyl groups or a sulfur atom were synthesized. Some of these compounds showed moderate in vitro activity against H1N1 subtype of influenza A virus. The selectivity index of the anti-influenza action of 5-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1H-tetrazol-1-yl}acetic acid, which

  合成了结构中杂环片段被肼基羰基甲基、甲基吡唑基或硫原子分隔的非环化四唑基嘧啶。其中一些化合物对甲型流感病毒 H1N1 亚型表现出中等的体外活性。细胞毒性极低的5-[(4,6-二甲基嘧啶-2-基)硫基]-1 H-四唑-1-基}乙酸的抗流感作用选择性指数是其两倍作为对照药金刚乙胺的选择性指标。
• [EN] REAGENT FOR MASS SPECTROMETRY<br/>[FR] RÉACTIF POUR SPECTROMÉTRIE DE MASSE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2020020849A1

  公开（公告）日：2020-01-30

  The present invention relates to reagents which are suitable to be used in mass spectrometry as well as methods of mass spectrometric determination of analyte molecules using said reagents.

  本发明涉及适用于质谱的试剂，以及利用所述试剂进行分析物分子的质谱测定方法。
• Morpholin-acetamide derivatives for the treatment of inflammatory diseases
  申请人：——

  公开号：US20040058923A1

  公开（公告）日：2004-03-25

  Compounds of formula (I) wherein: R 1 represents C 1-16 alkyl, C 2-6 alkenyl, C 2-6 alkynyl, C 2-6 alkynyl-Y 1 —, aryl-Y 1 —, heteroaryl-Y 1 —, aryl-(O) t -aryl-Y 1 —, aryl-(O) t -heteroaryl-Y 1 —, heteroaryl-(O) t -aryl-Y 1 —, heteroaryl-(O) t -heteroaryl-Y 1 —, C 2-6 alkenyl-Y 1 —, aryl-O—Y 1 —, heteroaryl-O—Y 1 —, C 1-16 alkyl-SO 2 —Y 1 —,M—Y 1 —,J 2 -Y 1 —, —CN or C 3-8 cycloalkyl-Y 1 — or C 3-8 cycloalkenyl-Y 1 —, which cycloalkyl or cycloalkenyl may be optionally substituted by one or more hydroxyl or C 1-16 Alkyl groups; R 2 represents hydrogen or C 1-16 alkyl; X represents ethylene or a group of formula CR e R f wherein R e and R f independently represent hydrogen or C 1-14 alkyl or R e and R f may together with the carbon atom to which they are attached form a C 3-8 cycloalkyl group; R 3 and R 4 independently represent hydrogen or C 1-14 alkyl; Z represents a bond, CO, SO 2 , CR 9 R 6 (CH 2 ) n , (CH 2 ) n CR 9 R 6 , CHR 6 (CH 2 ) n O, CHR 6 (CH 2 ) n S, CHR 6 (CH 2 ) n OCO, CHR 6 (CH 2 ) n CO, COCHR 6 (CH 2 ) n or SO 2 CHR 6 (CH 2 ) n ; n represents an integer from 0 to 4; processes for preparing them, formulations containing them and their use in therapy for the treatment of inflammatory diseases. 1

  式(I)的化合物，其中：R1代表C1-16烷基，C2-6烯基，C2-6炔基，C2-6炔基-Y1—，芳基-Y1—，杂环芳基-Y1—，芳基-(O)t-芳基-Y1—，芳基-(O)t-杂环芳基-Y1—，杂环芳基-(O)t-芳基-Y1—，杂环芳基-(O)t-杂环芳基-Y1—，C2-6烯基-Y1—，芳基-O—Y1—，杂环芳基-O—Y1—，C1-16烷基-SO2—Y1—，M—Y1—，J2-Y1—，—CN或C3-8环烷基-Y1—或C3-8环烯基-Y1—，其中环烷基或环烯基可以选择地被一个或多个羟基或C1-16烷基基团取代；R2代表氢或C1-16烷基；X代表乙烯或公式CReRf的基团，其中Re和Rf独立地代表氢或C1-14烷基，或Re和Rf可以与它们连接的碳原子一起形成C3-8环烷基基团；R3和R4独立地代表氢或C1-14烷基；Z代表键，CO，SO2，CR9R6(CH2)n，( )nCR9R6，CHR6( )nO，CHR6( )nS，CHR6( )nOCO，CHR6( )nCO，COCHR6( )n或SO2CHR6( )n；n代表一个从0到4的整数；它们的制备方法，包含它们的配方以及它们在治疗炎症性疾病中的用途。
• [EN] PROCESS FOR THE PREPARATION OF MORPHOLINE DERIVATIVES AND INTERMEDIATES THEREFORE<br/>[FR] PROCEDE DE PREPARATION DE DERIVES DE MORPHOLINE ET PRODUITS INTERMEDIAIRES OBTENUS A CET EFFET
  申请人：GLAXO GROUP LTD

  公开号：WO2003082835A1

  公开（公告）日：2003-10-09

  Processes for the preparation of a compound of formula (IIIA)(I), or a salt thereof; wherein; Z represents a bond, CO, SO2, CR10R7(CH2)n, (CH2)nCR10R7, CHR7(CH2)nO, CHR7(CH2)nS, CHR7(CH2)nOCO, CHR7(CH2)nCO, COCHR7(CH2)n or SO2CHR7(CH2)n; R6 represents C1-6 alkyl, C2-6 alkenyl, aryl, heteroaryl, aryl-C2-6 alkenyl-, -CN or a group of formula -Y2-J3; R7 represents hydrogen, C1-4 alkyl, CONR8R9 or COOC1-6 alkyl;a and b represent 1 or 2, such that a+b represents 2 or 3;n represents an integer from 0 to 4; M represents a C3-8 cycloalkyl or C3-8 cycloalkenyl group fused to a monocyclic aryl or monocyclic heteroaryl group; J3 represents a moiety of formula (K): (II), wherein X1 represents oxygen, NR11 or sulphur, X2 represents CH2, oxygen, NR12 or sulphur, m1 represents an integer from 1 to 3 and m2 represents an integer from 1 to 3, provided that m1+m2 is in the range from 3 to 5, also provided that when both X1 and X2 represent oxygen, NR11, NR12 or sulphur, m1 and m2 must both not equal less than 2, wherein (K) is optionally substituted by one or more (eg. 1 or 2) -Y3-aryl, -Y3-heteroaryl, -Y3-CO-aryl, -COC3-8 cycloalkyl, -Y3-CO-heteroaryl, -C1-6 alkyl, -Y3-COOC1-6 alkyl, -Y3-COC1-6 alkyl, -Y3-W, -Y3-CO-W, -Y3-NR15R16, -Y3-CONR15R16, hydroxy, oxo, -Y3-SO2NR15R16, -Y3-SO2C1-6 alkyl, -Y3-SO2aryl, -Y3-SO2heteroaryl, -Y3-NR13C1-6 alkyl, -Y3-NR13SO2C1-6 alkyl, -Y3-NR13CONR15R16, -Y3-NR13COOR14 or -Y3-OCONR15R16 groups, and is optionally fused to a monocyclic aryl or heteroaryl ring; R8, R9, R10, R11, R12, R13 and R14 independently represent hydrogen or C1-6 alkyl; R15 and R16 independently represent hydrogen or C1-6 alkyl or R15 and R16 together with the nitrogen atom to which they are attached may form a morpholine, piperidine or pyrrolidine ring; R17 and R18 independently represent hydrogen or C1-6 alkyl; W represents a saturated or unsaturated, non-aromatic 5-7 membered ring containing between 1 and 3 heteroatoms selected from nitrogen, oxygen or sulphur, optionally substituted with one or more C1-6 alkyl, halogen or hydroxy groups; Y1, Y2 and Y3 independently represent a bond or a group of formula -(CH2)pCRcRd(CH2)q- wherein Rc and Rd independently represent hydrogen or C1-4 alkyl or Rc and Rd may together with the carbon atom to which they are attached form a C3-8 cycloalkyl group, and p and q independently represent an integer from 0 to 5 wherein p + q is an integer from 0 to 5;, and; k is 1 or 2;are disclosed.

  关于制备化合物的方法，该化合物的化学式为(IIIA)(I)，或其盐；其中；Z代表一个键，CO，SO2，CR10R7(CH2)n，( )nCR10R7，CHR7( )nO，CHR7( )nS，CHR7( )nOCO，CHR7( )nCO，COCHR7( )n或SO2CHR7( )n；R6代表C1-6烷基，C2-6烯基，芳基，杂环芳基，芳基-C2-6烯基，-CN或一个化学式为-Y2-J3的基团；R7代表氢，C1-4烷基，CONR8R9或COOC1-6烷基；a和b代表1或2，使得a+b代表2或3；n代表0到4之间的整数；M代表与一个单环芳基或单环杂环芳基融合的C3-8环烷基或C3-8环烯基基团；J3代表一个化学式(K)的基团：(II)，其中X1代表氧，NR11或硫，X2代表 ，氧，NR12或硫，m1代表1到3之间的整数，m2代表1到3之间的整数，前提是m1+m2在3到5的范围内，同时当X1和X2都代表氧，NR11，NR12或硫时，m1和m2都不能小于2；其中(K)可以选择地被一个或多个(例如1或2个) -Y3-芳基，-Y3-杂环芳基，-Y3-CO-芳基，-COC3-8环烷基，-Y3-CO-杂环芳基，-C1-6烷基，-Y3-COOC1-6烷基，-Y3-COC1-6烷基，-Y3-W，-Y3-CO-W，-Y3-NR15R16，-Y3-CONR15R16，羟基，酮基，-Y3-SO2NR15R16，-Y3-SO2C1-6烷基，-Y3-SO2芳基，-Y3-SO2杂环芳基，-Y3-NR13C1-6烷基，-Y3-NR13SO2C1-6烷基，-Y3-NR13CONR15R16，-Y3-NR13COOR14或-Y3-OCONR15R16基团取代，也可以选择地与一个单环芳基或杂环芳基环融合；R8、R9、R10、R11、R12、R13和R14独立地代表氢或C1-6烷基；R15和R16独立地代表氢或C1-6烷基，或者R15和R16与它们连接的氮原子一起可以形成吗啡啉、哌啶或吡咯烷环；R17和R18独立地代表氢或C1-6烷基；W代表一个饱和或不饱和的非芳香5-7环，含有1到3个从氮、氧或硫中选择的杂原子，可以选择地取代一个或多个C1-6烷基、卤素或羟基；Y1、Y2和Y3独立地代表一个键或一个化学式-( )pCRcRd( )q-，其中Rc和Rd独立地代表氢或C1-4烷基，或者Rc和Rd可以与它们连接的碳原子一起形成一个C3-8环烷基，p和q独立地代表0到5之间的整数，其中p+q是0到5之间的整数；k为1或2；以上所述。
• Process for the preparation of morpholine derivatives and intermediates therefore
  申请人：Hayes Alistair Martin

  公开号：US20050222147A1

  公开（公告）日：2005-10-06

  Processes for the preparation of a compound of formula (IIIA) or a salt thereof are disclosed.

  本发明揭示了制备式（IIIA）化合物或其盐的过程。