3-三氟甲氧基苯甲脒 | 791566-24-0

• 物质功能分类: 化学试剂 - 有机试剂 - 亚氨、脒
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-三氟甲氧基苯甲脒
• 英文名称: 3-(trifluoromethoxy)benzimidamide
• 英文别名: 3-(trifluoromethoxy)benzenecarboximidamide
• CAS: 791566-24-0
• 化学式: C₈H₇F₃N₂O
• 分子量: 204.152
• InChiKey: JPBVRRAGKXTOFS-UHFFFAOYSA-N

物化性质

• 沸点：
  223.1±50.0℃ (760 Torr)
• 密度：
  1.38±0.1 g/cm3 (20 ºC 760 Torr)
• 闪点：
  88.7±30.1℃

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  59.1
• 氢给体数：
  2
• 氢受体数：
  5

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  间三氟甲氧基苯腈	3-(trifluoromethoxy)benzonitrile	52771-22-9	C8H4F3NO	187.121

反应信息

• 作为反应物：
  描述：

  potassium thioacyanate 、 3-三氟甲氧基苯甲脒 在 溴 作用下， 生成 3-(3-trifluoromethoxy-phenyl)-[1,2,4]thiadiazol-5-ylamine
  参考文献：
  名称：

  Pyrimidine benzamide-based thrombopoietin receptor agonists

  摘要：

  A series of pyrimidine benzamide-based thrombopoietin receptor agonists is described. The lead molecule contains a 2-amino-5-unsubstituted thiazole, a group that has been associated with idiosyncratic toxicity. The potential for metabolic oxidation at C-5 of the thiazole, the likely source of toxic metabolites, was removed by substitution at C-5 or by replacing the thiazole with a thiadiazole. Potency in the series was improved by modifying the substituents on the pyrimidine and/or on the thiazole or thiadiazole pendant aryl ring. In vivo examination revealed that compounds from the series are not highly bioavailable. This is attributed to low solubility and poor permeability. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.038
• 作为产物：
  描述：

  间三氟甲氧基苯腈 在 lithium hexamethyldisilazane 作用下， 生成 3-三氟甲氧基苯甲脒
  参考文献：
  名称：

  Pyrimidine benzamide-based thrombopoietin receptor agonists

  摘要：

  A series of pyrimidine benzamide-based thrombopoietin receptor agonists is described. The lead molecule contains a 2-amino-5-unsubstituted thiazole, a group that has been associated with idiosyncratic toxicity. The potential for metabolic oxidation at C-5 of the thiazole, the likely source of toxic metabolites, was removed by substitution at C-5 or by replacing the thiazole with a thiadiazole. Potency in the series was improved by modifying the substituents on the pyrimidine and/or on the thiazole or thiadiazole pendant aryl ring. In vivo examination revealed that compounds from the series are not highly bioavailable. This is attributed to low solubility and poor permeability. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.038

文献信息

• 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH
  申请人：NOVARTIS AG

  公开号：US10112931B2

  公开（公告）日：2018-10-30

  The invention is directed to a formula (I): or a pharmaceutically acceptable salt thereof, wherein R1, R2a, R2b and R3-R7 are herein. The invention is also directed to compositions containing a compound of formula (I) and to the use of such compounds in the inhibition of mutant IDH proteins having a neomorphic activity. The invention is further directed to the use of a compound of formula (I) in the treatment of diseases or disorders associated with such mutant IDH proteins including, but not limited to, cell-proliferation disorders, such as cancer.

  本发明涉及式 (I)： 或其药学上可接受的盐，其中 R1、R2a、R2b 和 R3-R7 在此处。本发明还涉及含有式（I）化合物的组合物，以及此类化合物在抑制具有新变态活性的突变 IDH 蛋白中的用途。本发明进一步涉及式（I）化合物在治疗与此类突变IDH蛋白相关的疾病或紊乱中的用途，包括但不限于细胞增殖紊乱，如癌症。
• 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH
  申请人：CAFERRO Thomas Raymond

  公开号：US20160318915A1

  公开（公告）日：2016-11-03

  The invention is directed to a formula (I): or a pharmaceutically acceptable salt thereof, wherein R 1 , R 2a , R 2b and R 3 -R 7 are herein. The invention is also directed to compositions containing a compound of formula (I) and to the use of such compounds in the inhibition of mutant IDH proteins having a neomorphic activity. The invention is further directed to the use of a compound of formula (I) in the treatment of diseases or disorders associated with such mutant IDH proteins including, but not limited to, cell-proliferation disorders, such as cancer.
• US9688672B2
  申请人：——

  公开号：US9688672B2

  公开（公告）日：2017-06-27
• [EN] ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES<br/>[FR] AMIDES CYCLIQUES ARTHROPODICIDES ET FONGICIDES
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：WO1997000612A1

  公开（公告）日：1997-01-09

  (EN) Uses of compounds of Formula (I), and their $i(N)-oxides and agriculturally suitable salts, as arthropodicides are disclosed, wherein E is an optionally substituted 1,2-phenylene, and optionally substituted naphthalene ring, or a ring system selected from certain 5 to 12-membered monocyclic and fused bicyclic aromatic heterocyclic ring systems as defined in the disclosure; A is O; S; N; NR5; or CR14; G is C or N; provided that when G is C, then A is O, S or NR5 and the floating double bond is attached to G; and when G is N, then A is N or CR14 and the floating double bond is attached to A; W is O; S; NH; N(C1-C6 alkyl); or NO(C1-C6 alkyl); X is H; OR1; S(O)mR1; halogen; C1-C6 alkyl; C1-C6 haloalkyl; C3-C6 cycloalkyl; cyano; NH2; NHR1; N(C1-C6 alkyl)R1; NH(C1-C6 alkoxy); or N(C1-C6 alkoxy)R1; R2 is H; C1-C6 alkyl; C1-C6 haloalkyl; C2-C6 alkenyl; C2-C6 haloalkenyl; C2-C6 alkynyl; C2-C6 haloalkynyl; C3-C6 cycloalkyl; C2-C4 alkylcarbonyl; C2-C4 alkoxycarbonyl; hydroxy; C1-C2 alkoxy; or acetyloxy; R1, R5, Y, Z, R14 and m are as defined in the disclosure. Also diclosed are compounds and compositions of Formula (IA) as defined in the disclosure and their use as arthropodicides and fungicides, and compounds and compositions of Formula (IB) as defined in the disclosure and their use as arthropodicides and fungicides. Also disclosed are compounds of Formula (II) as defined in the disclosure which are useful as intermediates for the preparation of the fungicides and arthropodicides of this invention where Y is oxygen and E is 1,2-phenylene.(FR) Cette invention concerne l'utilisation en tant qu'arthropodicides de composés de Formule (I), ainsi que de leurs $i(N)-oxides et de leurs sels adaptés à agriculture. Dans cette formule: R est un 1,2-phénylène éventuellement substitué; un cycle de naphtalène éventuellement substitué, ou un système cyclique choisi parmi certains systèmes cycliques hétérocycliques aromatiques monocycliques à 5 à 12 éléments et bicycliques fusionnés, tels que définis par l'invention; A est O; S; N; NR5; G est C ou N; à condition que quand G est C, alors A est O, S ou NR5 et la double liaison flottante est attachée à G; et quand G est N, alors A est N ou CR14 et la double liaison flottante est attachée à A; W est O; S; NH; N(alkyle C1-C6); ou NO(alkyle C1-C6); X est H; OR1; S(O)mR1; halogène; alkyle C1-C6; haloalkyle C1-C6; cycloalkyle C3-C6; cyano; NH2; NHR1; N(alkyle C1-C6)R1; NH(alcoxy C1-C6); ou N(alcoxy C1-C6)R1; R2 est H; alkyle C1-C6; haloalkyle C1-C6; alcényle C2-C6; haloalcényle C2-C6; alcynyle C2-C6; haloalcynyle C2-C6; cycloalkyle C3-C6; alkylcarbonyl C2-C4; alcoxycarbonyle C2-C4; hydroxy; alcoxy C1-C2; or acétyloxy; R1, R5, Y, Z, R14 et m sont tels que définis dans l'invention. L'invention concerne également des composés et des compositions de Formule (IA) tels que définis dans l'invention et leur utilisation comme arthropodicides et fongicides, et des composés et des compositions de Formule (IB) tels que définis dans l'invention et leur emploi comme arthropodicides et fongicides. Elle concerne enfin des composés de Formule (II) tels que définis dans l'invention qui sont utiles comme intermédiaires pour la préparation des arthropodicides et des fongicides de cette invention, où Y représente oxygène et E représente 1,2-phénylène.
• Pyrimidine benzamide-based thrombopoietin receptor agonists
  作者：Lawrence A. Reiter、Chakrapani Subramanyam、Emilio J. Mangual、Christopher S. Jones、Marc I. Smeets、William H. Brissette、Sandra P. McCurdy、Paul D. Lira、Robert G. Linde、Qifang Li、Fangning Zhang、Amy S. Antipas、Laura C. Blumberg、Jonathan L. Doty、James P. Driscoll、Michael J. Munchhof、Sharon L. Ripp、Andrei Shavnya、Richard M. Shepard、Diana Sperger、Lisa M. Thomasco、Kristen A. Trevena、Lilli A. Wolf-Gouveia、Liling Zhang

  DOI：10.1016/j.bmcl.2007.07.038

  日期：2007.10

  A series of pyrimidine benzamide-based thrombopoietin receptor agonists is described. The lead molecule contains a 2-amino-5-unsubstituted thiazole, a group that has been associated with idiosyncratic toxicity. The potential for metabolic oxidation at C-5 of the thiazole, the likely source of toxic metabolites, was removed by substitution at C-5 or by replacing the thiazole with a thiadiazole. Potency in the series was improved by modifying the substituents on the pyrimidine and/or on the thiazole or thiadiazole pendant aryl ring. In vivo examination revealed that compounds from the series are not highly bioavailable. This is attributed to low solubility and poor permeability. (C) 2007 Elsevier Ltd. All rights reserved.