cyclo-N-methyl-L-alanyl-L-alanyl | 59042-86-3

• 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
• 英文名称: cyclo-N-methyl-L-alanyl-L-alanyl
• 英文别名: cis-1,3,6-Trimethylpiperazin-2,5-dion；1,3,6-trimethyl-piperazine-2,5-dione；(3S,6s)-1,3,6-trimethyl-2,5-piperazinedione；(3S,6S)-1,3,6-trimethylpiperazine-2,5-dione
• CAS: 59042-86-3
• 化学式: C₇H₁₂N₂O₂
• 分子量: 156.184
• InChiKey: LAFVTZVRNASYMJ-WHFBIAKZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 cyclo-N-methyl-L-alanyl-L-alanyl 反应 4.0h， 生成 cyclo-N-acetyl-L-alanyl-N-methyl-L-alanyl
  参考文献：
  名称：

  cyclo-N-Acetyl-L-alanyl-N-methyl-L-alanyl (cyclo-N-Ac-L-Ala-N-Me-L-Ala)

  摘要：

  The title compound, C9H14N2O3 (alternative name: 1-acetyl-3,4,6-trimethyl-2,5-piperazinedione), assumes a boat conformation with both methyl substituents in pseudo-axial orientations. The degree of folding of the diketopiperazine ring, defined by the angle between the planes containing the two endocyclic amide bonds, was found to be -29.1 degrees.

  DOI：

  10.1107/s0108270195002745
• 作为产物：
  描述：

  (S)-2-{[(S)-2-((R)-2-Hydroxy-1-phenyl-ethylamino)-propionyl]-methyl-amino}-propionic acid 在 palladium dihydroxide 氢气 作用下， 以 甲醇 为溶剂， 50.0 ℃ 、344.73 kPa 条件下， 反应 7.0h， 生成 cyclo-N-methyl-L-alanyl-L-alanyl
  参考文献：
  名称：

  Dubuisson, Catherine; Fukumoto, Yoshiya; Hegedus, Louis S., Journal of the American Chemical Society, 1995, vol. 117, # 13, p. 3697 - 3704

  摘要：

  DOI：

文献信息

• [EN] 1-((S)-1-(3-CHLORO-5-FLUORO-2-((4-(1H-PYRAZOL-1-YL)-2-METHYLQUINOLIN-8-YLOXY)METHYL)PHENYL)ETHYL)-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ (BK) B2 RECEPTOR ANTAGONIST FOR TREATING SKIN DISEASES<br/>[FR] DÉRIVÉS DE 1-((S)-1-(3-CHLORO-5-FLUORO-2-((4-(1H-PYRAZOL-1-YL)-2-MÉTHYLQUINOLIN-8-YLOXY)MÉTHYL)PHÉNYL)ÉTHYL)-IMIDAZOLIDINE-2,4-DIONE ET COMPOSÉS APPARENTÉS SERVANT D'ANTAGONISTE DU RÉCEPTEUR B2 DE LA BRADYKININE (BK) POUR LE TRAITEMENT DE MALADIES DE LA PEAU
  申请人：PHARVARIS GMBH

  公开号：WO2020234479A1

  公开（公告）日：2020-11-26

  The invention relates to a compound according to general formula (I), which acts as a bradykinin (BK) B2 receptor antagonist; to a pharmaceutical composition containing one or more of the compound(s) of the invention; to a combination preparation containing at least one compound of the invention and at least one further active pharmaceutical ingredient; and to said compound(s) for use as in a method of treating a skin disorder; eye disease; ear disease; mouth, throat and respiratory disease; gastrointestinal disease; liver, gallbladder and pancreatic disease; urinary tract and kidney disease; disease of male genitale organs and female genitale organs; disease of the hormone system; metabolic disease; cardiovascular disease; blood disease; lymphatic disease; disorder of the central nervous system; brain disorder; musculoskeletal system disease; allergy disorder; pain; infectious disease; inflammatory disorder; injury; immunology disorder; cancer; hereditary disease; or edema. (I)

  该发明涉及一种符合一般式(I)的化合物，该化合物作为一种激肽酶B2（BK）受体拮抗剂；一种含有该发明化合物中的一个或多个化合物的药物组合物；一种含有至少一种该发明化合物和至少一种其他活性药物成分的联合制剂；以及用于治疗皮肤疾病、眼疾、耳疾、口腔、喉咙和呼吸道疾病、胃肠道疾病、肝脏、胆囊和胰腺疾病、泌尿道和肾脏疾病、男性生殖器官和女性生殖器官疾病、激素系统疾病、代谢性疾病、心血管疾病、血液疾病、淋巴疾病、中枢神经系统紊乱、脑部疾病、肌肉骨骼系统疾病、过敏疾病、疼痛、传染病、炎症性疾病、损伤、免疫学紊乱、癌症、遗传性疾病或水肿的方法中使用的该化合物。 (I)