tert-butyl (3-hydroxy-3-(thiazol-2-yl)propyl)(methyl)carbamate | 357405-65-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: tert-butyl (3-hydroxy-3-(thiazol-2-yl)propyl)(methyl)carbamate
• 英文别名: [3-Hydroxy-3-(2-thiazolyl)propyl]methylcarbamic acid 1,1-dimethylethyl ester；tert-butyl N-[3-hydroxy-3-(1,3-thiazol-2-yl)propyl]-N-methylcarbamate
• CAS: 357405-65-3
• 化学式: C₁₂H₂₀N₂O₃S
• 分子量: 272.368
• InChiKey: IJQQITWEMSGRPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  90.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl (3-hydroxy-3-(thiazol-2-yl)propyl)(methyl)carbamate 、 3-(7-(dimethylamino)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-2-yl)phenol 在 三丁基膦 、 1,1'-azodicarbonyl-dipiperidine 作用下， 以 甲苯 为溶剂， 以57%的产率得到tert-butyl (3-(3-(7-(d imethylamino)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-2-yl)phenoxy)-3-(thiazol-2-yl)propyl)(methyl)carbamate
  参考文献：
  名称：

  [EN] META SUBSTITUTED PHENYLPYRAZOLO- AND PHENYLPYRROLO- PYRIDAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN
  [FR] DÉRIVÉS DE PHÉNYLPYRAZOLO- ET PHÉNYLPYRROLO-PYRIDAZINE MÉTA-SUBSTITUÉS AYANT UNE ACTIVITÉ MULTIMODALE CONTRE LA DOULEUR

  摘要：

  本发明涉及具有对电压门控钙通道的a28亚基，特别是a28-l亚基，以及NET受体具有双重药理活性的式(I)的取代苯基吡唑啉和吡咯吡啶并吡啉衍生物，以及这些化合物的制备过程、包含它们的药物组合物，以及它们在治疗中的用途，特别是用于疼痛治疗。

  公开号：

  WO2018100041A1

文献信息

• QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS
  申请人：Laboratorios del Dr. Esteve, S.A.

  公开号：EP3339304A1

  公开（公告）日：2018-06-27

  The present invention relates to new compounds of formula (I): showing great affinity and activity towards the subunit α2δ of voltage-gated calcium channels (VGCC), especially the α2δ-1 subunit of voltage-gated calcium channels or dual activity towards subunit α2δ of voltage-gated calcium channels (VGCC), especially the α2δ-1 subunit of voltage-gated calcium channels, and the noradrenaline transporter (NET).

  本发明涉及公式（I）的新化合物：对电压门控钙通道（VGCC）的亚单位α2δ具有很高的亲和力和活性，特别是对电压门控钙通道的α2δ-1亚单位或对电压门控钙通道的亚单位α2δ（VGCC）具有双重活性，特别是对电压门控钙通道的α2δ-1亚单位，以及去甲肾上腺素转运体（NET）。
• Novel use of phenylheteroakylamine derivatives
  申请人：——

  公开号：US20030158185A1

  公开（公告）日：2003-08-21

  There is disclosed the use of a compound of formula (I) wherein R 1 , R 2 , X, Y, V, W and Z are as defined in the specification, and pharmaceutically acceptable salts, enantiomers or racemates thereof, in the manufacture of a medicament, for the treatment or prophylaxis of diseases or conditions in which inhibition of nitric oxide synthase activity is beneficial. Certain novel compounds of formula (Ia) and pharmaceutically acceptable salts thereof, and enantiomers and racemates thereof are disclosed; together with processes for their preparation, compositions containing them and their use in therapy. The compounds of formulae (I) and (Ia) are inhibitors of the enzyme nitric oxide synthase and are thereby particularly useful in the treatment or prophylaxis of inflammatory disease.

  本发明揭示了使用式(I)中R1、R2、X、Y、V、W和Z如规范中所定义的化合物及其药学上可接受的盐、对映体或外消旋体在制造药物上的用途，用于治疗或预防通过抑制一氧化氮合酶活性有益的疾病或症状。本发明还揭示了某些新颖的式(Ia)化合物及其药学上可接受的盐、对映体和外消旋体，以及它们的制备方法、含有它们的组合物和它们在治疗中的用途。式(I)和(Ia)化合物是一氧化氮合酶酶的抑制剂，因此在治疗或预防炎症性疾病方面特别有用。
• Quinoline and isoquinoline derivatives for treating pain and pain related conditions
  申请人：ESTEVE PHARMACEUTICALS, S.A.

  公开号：US10941138B2

  公开（公告）日：2021-03-09

  The present invention relates to new compounds of formula (I): showing great affinity and activity towards the subunit α2δ of voltage-gated calcium channels (VGCC), especially the α2δ-1 subunit of voltage-gated calcium channels or dual activity towards subunit α2δ of voltage-gated calcium channels (VGCC), especially the α2δ-1 subunit of voltage-gated calcium channels, and the noradrenaline transporter (NET).

  本发明涉及新的式（I）化合物： 对电压门控钙通道（VGCC）的α2δ亚基，特别是电压门控钙通道的α2δ-1亚基表现出极大的亲和力和活性，或对电压门控钙通道（VGCC）的α2δ亚基，特别是电压门控钙通道的α2δ-1亚基和去甲肾上腺素转运体（NET）表现出双重活性。
• [EN] NEW QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS<br/>[FR] NOUVEAUX DÉRIVÉS DE QUINOLÉINE ET D'ISOQUINOLÉINE POUR TRAITER LA DOULEUR ET LES ÉTATS PATHOLOGIQUES ASSOCIÉS À LA DOULEUR
  申请人：ESTEVE LABOR DR

  公开号：WO2018115064A1

  公开（公告）日：2018-06-28

  The present invention relates to new compounds of formula (I): showing great affinity and activity towards the subunit α2δ of voltage-gated calcium channels (VGCC), especially the α2δ-1subunit of voltage-gated calcium channels or dual activity towards subunit α2δ of voltage-gated calcium channels (VGCC), especially the α2δ-1subunit of voltage-gated calcium channels, and the noradrenaline transporter (NET).