ethyl 2-(diphenylmethyleneamino)-5-methylhex-4-enoate | 115289-60-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 2-(diphenylmethyleneamino)-5-methylhex-4-enoate
• 英文别名: 4-Hexenoic acid, 2-[(diphenylmethylene)amino]-5-methyl-, ethyl ester；ethyl 2-(benzhydrylideneamino)-5-methylhex-4-enoate
• CAS: 115289-60-6
• 化学式: C₂₂H₂₅NO₂
• 分子量: 335.446
• InChiKey: DDOLTLLLKFDIAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 2-(diphenylmethyleneamino)-5-methylhex-4-enoate 在 盐酸 、 二异丙胺 、 三氯氧磷 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 Ethyl 2-isocyano-5-methylhex-4-enoate
  参考文献：
  名称：

  Thiol Mediated Free Radical Cyclization of Alkenyl and Alkynyl Isocyanides

  摘要：

  Thiol-mediated free radical cyclizations of but-3-enyl and but-3-ynyl isocyanides of types 6-8 give new access to 3,5-disubstituted 2-(alkyl- and 2-(arylthio)pyrrolines 11, 12, and 18. When 2-mercaptoethanol is used with the same isocyanides the reaction results in pyroglutamates 16, 17, or 19. These cyclizations involve the formation of a new carbon-carbon bond through intramolecular addition of a carbon-centered thioimidoyl radical to a carbon-carbon multiple bond. Although cyclic products are usually obtained in high yields, in a few cases a competing radical degradation process leading to isothiocyanates was observed. Isocyanide 8a carrying an allyl(phenyl) sulfide moiety isomerizes to 2-(phenylthio)pyrroline 24 in a series of sequential steps.

  DOI：

  10.1021/jo00104a035
• 作为产物：
  描述：

  二苯亚甲基甘氨酸乙酯 、 1-溴-3-甲基-2-丁烯 在 cesium hydroxide 、 苄基三乙基氯化铵 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成 ethyl 2-(diphenylmethyleneamino)-5-methylhex-4-enoate
  参考文献：
  名称：

  Vanilloid receptor ligands and their use in treatments

  摘要：

  具有一般结构的化合物及其组合物，用于治疗急性、炎症性和神经性疼痛、牙痛、普通头痛、偏头痛、集群头痛、混合血管和非血管综合征、紧张性头痛、一般炎症、关节炎、风湿病、骨关节炎、炎性肠道疾病、炎性眼部疾病、炎性或不稳定膀胱疾病、牛皮癣、伴有炎症成分的皮肤疾病、慢性炎症症状、炎症性疼痛及相关的过敏性疼痛和触痛、神经性疼痛及相关的过敏性疼痛和触痛、糖尿病性神经病痛、烧伤性神经痛、交感神经维持性疼痛、去神经综合征、哮喘、上皮组织损伤或功能障碍、单纯疱疹、呼吸、泌尿、消化或血管区域内脏运动障碍、伤口、烧伤、过敏性皮肤反应、瘙痒、白癜风、一般胃肠道疾病、胃溃疡、十二指肠溃疡、腹泻、坏死性剂引起的胃病变、毛发生长、血管运动性或过敏性鼻炎、支气管疾病或膀胱疾病。

  公开号：

  US20060183745A1

文献信息

• Vanilloid receptor ligands and their use in treatments
  申请人：Bo Y. Yunxin

  公开号：US20060183745A1

  公开（公告）日：2006-08-17

  Compounds having the general structure and compositions containing them, for the treatment of acute, inflammatory and neuropathic pain, dental pain, general headache, migraine, cluster headache, mixed-vascular and non-vascular syndromes, tension headache, general inflammation, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, inflammatory eye disorders, inflammatory or unstable bladder disorders, psoriasis, skin complaints with inflammatory components, chronic inflammatory conditions, inflammatory pain and associated hyperalgesia and allodynia, neuropathic pain and associated hyperalgesia and allodynia, diabetic neuropathy pain, causalgia, sympathetically maintained pain, deafferentation syndromes, asthma, epithelial tissue damage or dysfunction, herpes simplex, disturbances of visceral motility at respiratory, genitourinary, gastrointestinal or vascular regions, wounds, burns, allergic skin reactions, pruritus, vitiligo, general gastrointestinal disorders, gastric ulceration, duodenal ulcers, diarrhea, gastric lesions induced by necrotising agents, hair growth, vasomotor or allergic rhinitis, bronchial disorders or bladder disorders.

  具有一般结构的化合物及其组合物，用于治疗急性、炎症性和神经性疼痛、牙痛、普通头痛、偏头痛、集群头痛、混合血管和非血管综合征、紧张性头痛、一般炎症、关节炎、风湿病、骨关节炎、炎性肠道疾病、炎性眼部疾病、炎性或不稳定膀胱疾病、牛皮癣、伴有炎症成分的皮肤疾病、慢性炎症症状、炎症性疼痛及相关的过敏性疼痛和触痛、神经性疼痛及相关的过敏性疼痛和触痛、糖尿病性神经病痛、烧伤性神经痛、交感神经维持性疼痛、去神经综合征、哮喘、上皮组织损伤或功能障碍、单纯疱疹、呼吸、泌尿、消化或血管区域内脏运动障碍、伤口、烧伤、过敏性皮肤反应、瘙痒、白癜风、一般胃肠道疾病、胃溃疡、十二指肠溃疡、腹泻、坏死性剂引起的胃病变、毛发生长、血管运动性或过敏性鼻炎、支气管疾病或膀胱疾病。
• Steiner, Norbert; Nagel, Ulrich; Beck, Wolfgang, Chemische Berichte, 1988, vol. 121, p. 1759 - 1766
  作者：Steiner, Norbert、Nagel, Ulrich、Beck, Wolfgang

  DOI：——

  日期：——
• US7301022B2
  申请人：——

  公开号：US7301022B2

  公开（公告）日：2007-11-27
• [EN] VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS<br/>[FR] LIGANDS DES RECEPTEURS VANILLOIDES ET LEURS UTILISATIONS THERAPEUTIQUES
  申请人：AMGEN INC

  公开号：WO2006089311A1

  公开（公告）日：2006-08-24

  [EN] Compounds having the general structure (I) and compositions containing them, for the treatment of acute, inflammatory and neuropathic pain, dental pain, general headache, migraine, cluster headache, mixed-vascular and non-vascular syndromes, tension headache, general inflammation, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, inflammatory eye disorders, inflammatory or unstable bladder disorders, psoriasis, skin complaints with inflammatory components, chronic inflammatory conditions, inflammatory pain and associated hyperalgesia and allodynia, neuropathic pain and associated hyperalgesia and allodynia, diabetic neuropathy pain, causalgia, sympathetically maintained pain, deafferentation syndromes, asthma, epithelial tissue damage or dysfunction, herpes simplex, disturbances of visceral motility at respiratory, genitourinary, gastrointestinal or vascular regions, wounds, burns, allergic skin reactions, pruritus, vitiligo, general gastrointestinal disorders, gastric ulceration, duodenal ulcers, diarrhea, gastric lesions induced by necrotising agents, hair growth, vasomotor or allergic rhinitis, bronchial disorders or bladder disorders.
  [FR] L'invention concerne des composés présentant la structure générale suivante:, ainsi que des compositions les contenant, destinés au traitement de la douleur aiguë inflammatoire et neuropathique, de la douleur dentaire, de la céphalée en général, de la migraine, de l'algie vasculaire de la face, des syndromes mixtes vasculaires et non vasculaires, de la céphalée de tension, de l'inflammation en général, de l'arthrite, des maladies rhumatismales, de l'arthrose, des troubles intestinaux inflammatoires, des troubles oculaires inflammatoires, des troubles inflammatoires ou instables de la vessie, du psoriasis, des affections cutanées à composantes inflammatoires, des états inflammatoires chroniques, de la douleur inflammatoire et de l'hyperalgie et de l'allodynie associées, de la douleur neuropathique et de l'hyperalgie et de l'allodynie associées, de la douleur neuropathique diabétique, de la causalgie, de la douleur maintenue par le système sympathique, des syndromes de désafférentation, de l'asthme, des dommages ou dysfonctionnements du tissu épithélial, de l'herpès simplex, des troubles de la motilité viscérale dans les zones respiratoires, génito-urinaires, gastro-intestinales ou vasculaires, des plaies, des brûlures, des réactions cutanées allergiques, du prurit, du vitiligo, des troubles gastro-intestinaux en général, des ulcérations gastriques, des ulcères duodénaux, de la diarrhée, des lésions gastriques induites par des agents nécrosants, des troubles de la pousse des cheveux, de la rhinite vasomotrice ou allergique, des troubles bronchiques ou des troubles de la vessie.
• [EN] INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE CYSTÉINE PROTÉASES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：PARDES BIOSCIENCES INC

  公开号：WO2021252644A1

  公开（公告）日：2021-12-16

  The disclosure provides compounds of formula II with warheads and their use in treating medical diseases or disorders, such as viral infections. Pharmaceutical compositions and methods of making various compounds with warheads are provided. The compounds are contemplated to inhibit proteases, such as the 3C, CL- or 3CL-like protease. Formula II