1,1,3,3-四甲基-2-(2-氧代吡啶-1(2H)-基)异脲六氟磷酸盐 [HPTU] | 364047-51-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 1,1,3,3-四甲基-2-(2-氧代吡啶-1(2H)-基)异脲六氟磷酸盐 [HPTU]
• 中文别名: HPTU,O-(1,2-二氢-2-氧-吡啶基)--1,1,3,3-四甲基脲六氟磷酸酯；1,1,3,3-四甲基-2-(2-氧代吡啶-1(2H)-基)异脲六氟磷酸盐；1,1,3,3-四甲基-2-(2-氧代吡啶-1(2H)-基)异脲六氟磷酸盐[HPTU]
• 英文名称: [O-(1,2-dihydro-2-oxo-pyridyl)-N,N,N',N'-tetramethyluronium]hexafluorophosphate
• 英文别名: O-(1,2-dihydro-2-oxo-pyridyl)-N,N,N',N'-tetramethyluronium hexafluorophosphate；O-(2-pyridone)-1,1,3,3-tetramethyluronium hexafluorophosphate；HTOPT；HPTU；1,1,3,3-Tetramethyl-2-(2-oxopyridin-1(2H)-YL)isouronium hexafluorophosphate；[dimethylamino-(2-oxopyridin-1-yl)oxymethylidene]-dimethylazanium;hexafluorophosphate
• CAS: 364047-51-8
• 化学式: C₁₀H₁₆N₃O₂*F₆P
• 分子量: 355.22
• InChiKey: OVOWPFZLWCWFQE-UHFFFAOYSA-N

物化性质

• 熔点：
  166-176 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.85
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  35.8
• 氢给体数：
  0
• 氢受体数：
  9

安全信息

• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P501,P260,P270,P264,P280,P303+P361+P353,P301+P330+P331,P363,P301+P312+P330,P304+P340+P310,P305+P351+P338+P310,P405
• 危险品运输编号：
  1759
• 危险性描述：
  H302,H314
• 储存条件：
  室温且干燥环境中保存。

反应信息

• 作为产物：
  描述：

  1,1,3,3-四甲基脲 在 草酰氯 、 hexafluorophosphate anion 作用下， 以 乙腈 为溶剂， 生成 1,1,3,3-四甲基-2-(2-氧代吡啶-1(2H)-基)异脲六氟磷酸盐 [HPTU]
  参考文献：
  名称：

  2-(4,6-二甲氧基-1,3,5-triazin-2-yloxyimino)衍生物的合成：在溶液肽合成中的应用

  摘要：

  一类新的 1,3,5-triazinyloxyimino 衍生物被制备、表征和测试在溶液肽合成中的反应性。新的三嗪基氧基亚氨基衍生物在肽键形成过程中未能激活羧基，但产生了相应的 N-三嗪基氨基酸衍生物作为主要产物。oxyma（2-氰基-2-（羟基亚氨基）乙酸乙酯）脲盐在外消旋化方面优于其他脲盐，而 2-氯-4,6-二甲氧基-1,3,5-三嗪（CDMT，9 ) 给出了最好的结果。

  DOI：

  10.3390/molecules15129403
• 作为试剂：
  描述：

  1-氨基哌啶 、 1-(2-chlorophenyl)-5-(4-hydroxyphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid 在 1,1,3,3-四甲基-2-(2-氧代吡啶-1(2H)-基)异脲六氟磷酸盐 [HPTU] 、 1-羟基苯并三唑 、 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 48.0h， 以73%的产率得到1-(2-chlorophenyl)-5-(4-hydroxyphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide
  参考文献：
  名称：

  Synthesis of [O-methyl-11C]1-(2-chlorophenyl)-5-(4-methoxyphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide: a potential PET ligand for CB1 receptors

  摘要：

  Synthesis and in vitro evaluation of [O-methyl-C-11]1-(2-chlorophenyl)-5-(4-methoxyphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide ([C-11]-1), a potential imaging agent for CB, receptors using PET is described. 1-(2-Chlorophenyl)-5-(4-hydroxyphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide (5), the precursor for radiolabeling, was synthesized from 4-OTBDPS-propiophenone (2) in five steps with 30% overall yield. The reaction of alcohol 5 with [C-11]MeOTf at 60degreesC afforded [C-11]-1 with an average radiochemical yield of 14.5% (EOS) and >2000 Ci/mmol specific activity. The radiotracer was found to selectively label CB, receptors in slide-mounted sections of postmortem human brain containing prefrontal cortex as demonstrated by in vitro autoradiography using phosphor imaging. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.034

文献信息

• ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR
  申请人：FUJIFILM Corporation

  公开号：US20190314360A1

  公开（公告）日：2019-10-17

  It is an object of the present invention to provide an antitumor agent, which is further excellent as a treatment agent used in the prevention and/or therapy of tumor associated with a bromodomain, and also to provide a bromodomain inhibitor, which is useful as a treatment agent for diseases or states associated with a bromodomain. An antitumor agent and a bromodomain inhibitor, comprising a compound represented by the following formula, have an excellent bromodomain inhibitory activity and are useful as treatment agents in the prevention and/or therapy of tumor associated with a bromodomain, and the like: wherein R 1 represents a C 1-6 alkyl group, etc.; R 2 represents a hydrogen atom, etc.; R 3 represents a halogen atom, etc.; Z 1 , Z 2 and Z 3 each represent CH, etc.; X 1 represents CONH, etc.; Ring A represents a phenyl group, etc.; R 4 represents a halogen atom, etc.; and m represents an integer from 0 to 5.

  本发明的目的是提供一种抗肿瘤剂，作为与溴结构域相关的肿瘤的预防和/或治疗中使用的治疗剂，该抗肿瘤剂进一步优秀，并提供一种溴结构域抑制剂，用作与溴结构域相关的疾病或状态的治疗剂。包含以下式表示的化合物的抗肿瘤剂和溴结构域抑制剂具有出色的溴结构域抑制活性，并可用作与溴结构域相关的肿瘤的预防和/或治疗等治疗剂： 其中R1代表C1-6烷基基团等；R2代表氢原子等；R3代表卤素原子等；Z1、Z2和Z3各代表CH等；X1代表CONH等；环A代表苯基等；R4代表卤素原子等；m代表0到5的整数。
• PRODUCTION METHOD FOR NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND INTERMEDIATE OF SAID NITROGEN-CONTAINING HETEROCYCLIC COMPOUND
  申请人：FUJIFILM Corporation

  公开号：EP3323811A1

  公开（公告）日：2018-05-23

  An object of the present invention is to provide a method for industrially manufacturing a nitrogen-containing heterocyclic compound which shows excellent FLT3 inhibitory activity and is useful as a pharmaceutical active ingredient of pharmaceutical products. The present invention provides a manufacturing method of a compound represented by General Formula [14] or a salt thereof (in the formula, R1 represents a C1-6 alkyl group which may be substituted; and R8 represents a leaving group or the like).

  本发明的目的是提供一种工业化生产含氮杂环化合物的方法，该化合物具有优异的FLT3抑制活性，可用作医药产品的药物活性成分。本发明提供了一种通式[14]代表的化合物或其盐的制造方法（式中，R1代表可被取代的C1-6烷基；R8代表离去基团或类似物）。
• NOVEL 2-CARBOXYPENAM COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAID COMPOUND OR SALT, AND APPLICATION THEREOF
  申请人：Fujifilm Corporation

  公开号：EP3693374A1

  公开（公告）日：2020-08-12

  An object of the present invention is to provide a compound and a pharmaceutical composition which exhibit strong antibacterial activity against Gram-negative bacteria and drug-resistant Gram-negative bacteria. According to the present invention, a compound represented by General Formula [1] (the reference signs in the formula have the same definitions as those described in the present specification) or a salt thereof has strong antibacterial activity against Gram-negative bacteria such as Pseudomonas aeruginosa and drug-resistant Gram-negative bacteria including multidrug-resistant Pseudomonas aeruginosa, and the pharmaceutical composition containing the compound or a salt thereof is useful as an antibacterial agent.s

  本发明的目的是提供一种对革兰氏阴性菌和耐药革兰氏阴性菌具有强抗菌活性的化合物和药物组合物。根据本发明，通式[1]代表的化合物（式中的参考符号与本说明书中描述的定义相同）或其盐对革兰氏阴性菌（如铜绿假单胞菌）和耐药革兰氏阴性菌（包括耐多药铜绿假单胞菌）具有很强的抗菌活性，含有该化合物或其盐的药物组合物可用作抗菌剂。
• NOVEL PENAM DERIVATIVES OR SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF
  申请人：FUJIFILM Corporation

  公开号：EP3778609A1

  公开（公告）日：2021-02-17

  An object of the present invention is to provide a compound and a pharmaceutical composition which exhibit strong antibacterial activity against Gram-negative bacteria and drug-resistant Gram-negative bacteria. A compound represented by General Formula [1] (the reference signs in Formula have the same definitions as those described in the present specification) or a salt thereof has strong antibacterial activity against Gram-negative bacteria such as Pseudomonas aeruginosa and drug-resistant Gram-negative bacteria including multidrug-resistant Pseudomonas aeruginosa, and the pharmaceutical composition containing the compound or a salt thereof is useful as an antibacterial agent.

  本发明的目的是提供一种对革兰氏阴性细菌和耐药革兰氏阴性细菌具有强抗菌活性的化合物和药物组合物。通式[1]代表的化合物（式中的参考符号与本说明书中描述的定义相同）或其盐对革兰氏阴性菌（如铜绿假单胞菌）和耐药革兰氏阴性菌（包括耐多药铜绿假单胞菌）具有很强的抗菌活性，含有该化合物或其盐的药物组合物可用作抗菌剂。
• PHARMACEUTICAL COMPOSITION AND KIT CHARACTERIZED BY CONTAINING NOVEL PENAM DERIVATIVE OR SALT THEREOF AND ONE OR MORE COMPOUNDS SELECTED FROM ?-LACTAMASE INHIBITOR COMPOUND, ANTIBACTERIAL COMPOUND AND SALTS OF THESE
  申请人：FUJIFILM Corporation

  公开号：EP4039257A1

  公开（公告）日：2022-08-10

  An object of the present invention is to provide a pharmaceutical composition and a kit which exhibit strong antibacterial activity against Gram-negative bacteria and/or drug-resistant Gram-negative bacteria. A pharmaceutical composition and a kit containing a compound represented by General Formula [1] (the meaning of each reference numeral is as described above in the present specification) or a salt thereof and one or more compounds selected from a β-lactamase inhibitory compound and an antibacterial compound have strong antibacterial activity against Gram-negative bacteria such as Pseudomonas aeruginosa and/or drug-resistant Gram-negative bacteria including multidrug-resistant Pseudomonas aeruginosa, and are useful for treating infections caused by these bacteria.

  本发明的目的是提供一种药物组合物和一种试剂盒，对革兰氏阴性细菌和/或耐药革兰氏阴性细菌具有很强的抗菌活性。 一种药物组合物和一种试剂盒含有通式[1]代表的化合物（各参考数字的含义如本说明书上文所述）或其盐和一种或多种选自β-内酰胺酶抑制化合物和抗菌化合物的化合物，对革兰氏阴性菌如铜绿假单胞菌和/或耐药革兰氏阴性菌包括耐多药铜绿假单胞菌具有很强的抗菌活性，可用于治疗由这些细菌引起的感染。