methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate | 307307-82-0

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
• CAS: 307307-82-0
• 化学式: C₉H₁₂N₂O₂
• 分子量: 180.206
• InChiKey: CZLHZGSYILHMRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate 在 N-氯代丁二酰亚胺 作用下， 以 乙腈 为溶剂， 生成 Methyl 3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-A]pyridine-2-carboxylate
  参考文献：
  名称：

  A novel series of metabotropic glutamate receptor 5 negative allosteric modulators based on a 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine core

  摘要：

  A series of potent non-acetylinic negative allosteric modulators of the metabotropic glutamate receptor 5 (mGlu5 NAMs) was developed starting from HTS screening hit 1. Potency was improved via iterative SAR, and physicochemical properties were optimized to deliver orally bioavailable compounds acceptable for in vivo testing. A lead molecule from the series demonstrated dose-dependent activity in the second phase of the rat formalin test from 30 mg/kg, and a preliminary PK/PD relationship was established. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.06.044
• 作为产物：
  描述：

  N-nitroso-L-pipecolic acid 在 三氟乙酸酐 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 二氯甲烷 为溶剂， 反应 10.5h， 生成 methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
  参考文献：
  名称：

  [EN] MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS
  [FR] PYRRAZOLES FUSIONNÉS MACROCYCLIQUES UTILISÉS EN TANT QU'INHIBITEURS DE MCL-1

  摘要：

  提供由化学式IA表示的化合物，以及其在药学上可接受的盐和溶剂化合物，其中R、R 1a、R 1b、L 1、L 2、L 3、X、A、B和C的定义如规范中所述。还提供了化学式IA的化合物，用于治疗对Mcl-1抑制敏感的疾病或紊乱，如癌症。

  公开号：

  WO2020151738A1

文献信息

• [EN] MACROCYCLIC COMPOUNDS<br/>[FR] COMPOSÉS MACROCYCLIQUES
  申请人：ZENO MAN INC

  公开号：WO2020185606A1

  公开（公告）日：2020-09-17

  Disclosed are macrocyclic compounds of formula (I) comprising a 2-carboxy indole ring. Such compounds, and their pharmaceutically acceptable salts, are useful as Mcl-1 (myeloid cell leukemia-1) inhibitors. The compounds may be used in treating a disease or condition, such as cancer.

  揭示了公式（I）中包含2-羧基吲哚环的大环化合物。这些化合物及其药用盐可用作Mcl-1（髓细胞白血病-1）抑制剂。这些化合物可用于治疗疾病或病况，如癌症。
• MACROCYCLIC COMPOUNDS
  申请人：Zeno Management, Inc.

  公开号：EP3924358A1

  公开（公告）日：2021-12-22
• MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS
  申请人：ASCENTAGE PHARMA (SUZHOU) CO., LTD.

  公开号：US20220396587A1

  公开（公告）日：2022-12-15

  Provided are compounds represented by Formula IA: (IA), and the pharmaceutically acceptable salts and solvates thereof, wherein R, R 1a , R 1b , L 1 , L 2 , L 3 , X, A, B and C are as defined as set forth in the specification. Also provided compounds of Formula IA for use to treat a condition or disorder responsive to Mcl-1 inhibition such as cancer.