N-boc-1H-吡唑-5-硼酸频那醇酯 | 1256359-17-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: N-boc-1H-吡唑-5-硼酸频那醇酯
• 中文别名: 叔丁基5-(4,4,5,5-四甲基-1,3,2-二氧杂环己硼烷-2-基)-1H-吡唑-1-甲酸酯
• 英文名称: tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-carboxylate
• 英文别名: tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate
• CAS: 1256359-17-7
• 化学式: C₁₄H₂₃BN₂O₄
• 分子量: 294.159
• InChiKey: HWUUHAAZWMTBNW-UHFFFAOYSA-N

物化性质

• 沸点：
  387.9±34.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.97
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  62.6
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  N-boc-1H-吡唑-5-硼酸频那醇酯 、 (S)-tert-butyl (1-(6-bromo-1-methyl-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl)carbamate 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成
  参考文献：
  名称：

  [EN] AZAINDOLE DERIVATIVES WHICH ACT AS PI3K INHIBITORS
  [FR] DÉRIVÉS D'AZAINDOLE AGISSANT COMME INHIBITEUR DE PI3K

  摘要：

  揭示了Formula 1的化合物及其药用盐，其中R1、R2、R3、R4、R5、R6、R7、R8、R9和R10在规范中有定义。本公开还涉及制备Formula 1化合物的材料和方法，含有它们的药物组合物，以及它们用于治疗免疫性疾病、心血管疾病、癌症和与PI3Kδ相关的其他疾病、疾患或症状的用途。

  公开号：

  WO2014011568A1

文献信息

• [EN] INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE L'ECTONUCLÉOTIDE PYROPHOSPHATASE/PHOSPHODIESTÉRASE 1 (ENPP1) ET LEURS PROCÉDÉS D'UTILISATION
  申请人：STINGRAY THERAPEUTICS INC

  公开号：WO2021158829A1

  公开（公告）日：2021-08-12

  Compounds and methods for their preparation and use as therapeutic or prophylactic agents, for example for treatment of cancer, bacterial or viral diseases by targeting Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1).

  化合物及其制备和使用方法，用作治疗或预防剂，例如通过靶向胞苷酸焦磷酸酶/磷酸二酯酶-1（ENPP1）来治疗癌症、细菌或病毒性疾病。
• Novel Pyrimidine Imidazole Amines as Modulators of Kinase Activity
  申请人：Merck Patent GmbH

  公开号：US20150225371A1

  公开（公告）日：2015-08-13

  The invention provides novel imidazole amine compounds according to formula (I) their manufacture and use for the treatment of hyperproliferative diseases, such as cancer.

  该发明提供了根据式(I)的新型咪唑胺化合物、其制备方法以及用于治疗高增殖性疾病，如癌症的用途。
• Pyrimidine imidazole amines as modulators of kinase activity
  申请人：Merck Patent GmbH

  公开号：US09434714B2

  公开（公告）日：2016-09-06

  The invention provides novel imidazole amine compounds according to formula (I) their manufacture and use for the treatment of hyperproliferative diseases, such as cancer.

  本发明提供了新型咪唑胺化合物，其化学式为(I)，以及它们的制备方法和用于治疗增生性疾病，如癌症的用途。
• Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin
  作者：Brian Metcalf、Chihyuan Chuang、Kobina Dufu、Mira P. Patel、Abel Silva-Garcia、Carl Johnson、Qing Lu、James R. Partridge、Larysa Patskovska、Yury Patskovsky、Steven C. Almo、Matthew P. Jacobson、Lan Hua、Qing Xu、Stephen L. Gwaltney、Calvin Yee、Jason Harris、Bradley P. Morgan、Joyce James、Donghong Xu、Athiwat Hutchaleelaha、Kumar Paulvannan、Donna Oksenberg、Zhe Li

  DOI：10.1021/acsmedchemlett.6b00491

  日期：2017.3.9

  We report the discovery of a new potent allosteric effector of sickle cell hemoglobin, GBT440 (36), that increases the affinity of hemoglobin for oxygen and consequently inhibits its polymerization when subjected to hypoxic conditions. Unlike earlier allosteric activators that bind covalently to hemoglobin in a 2:1 stoichiometry, 36 binds with a 1:1 stoichiometry. Compound 36 is orally bioavailable and partitions highly and favorably into the red blood cell with a RBC/plasma ratio of similar to 150. This partitioning onto the target protein is anticipated to allow therapeutic concentrations to be achieved in the red blood cell at low plasma concentrations. GBT440 (36) is in Phase 3 clinical trials for the treatment of sickle cell disease (NCT03036813).
• [EN] AZAINDOLE DERIVATIVES WHICH ACT AS PI3K INHIBITORS<br/>[FR] DÉRIVÉS D'AZAINDOLE AGISSANT COMME INHIBITEUR DE PI3K
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2014011568A1

  公开（公告）日：2014-01-16

  Disclosed are compounds of Formula 1, and pharmaceutically acceptable salts thereof, wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, and R10 are defined in the specification. This disclosure also relates to materials and methods for preparing compounds of Formula 1, to pharmaceutical compositions which contain them, and to their use for treating immunological disorders, cardiovascular disease, cancer, and other diseases, disorders or conditions associated with PI3Kδ.

  揭示了Formula 1的化合物及其药用盐，其中R1、R2、R3、R4、R5、R6、R7、R8、R9和R10在规范中有定义。本公开还涉及制备Formula 1化合物的材料和方法，含有它们的药物组合物，以及它们用于治疗免疫性疾病、心血管疾病、癌症和与PI3Kδ相关的其他疾病、疾患或症状的用途。