(5-bromo-pyridin-3-yl)-methyl-carbamic acid tert-butyl ester | 1243698-95-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (5-bromo-pyridin-3-yl)-methyl-carbamic acid tert-butyl ester
• 英文别名: tert-butyl (5-bromopyridin-3-yl)(methyl)carbamate；tert-butyl N-(5-bromo-3-pyridyl)-N-methylcarbamate；tert-Butyl (5-bromopyridin-3-yl)(methyl)carbamate；tert-butyl N-(5-bromopyridin-3-yl)-N-methylcarbamate
• CAS: 1243698-95-4
• 化学式: C₁₁H₁₅BrN₂O₂
• 分子量: 287.156
• InChiKey: MFYMTVGJNYCAOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (5-bromo-pyridin-3-yl)-methyl-carbamic acid tert-butyl ester 在 水 、 caesium carbonate 、 1,3-bis [2,6-bis(1-propylbutyl)phenyl]-4,5-dichloro-2H-imidazol-1-ium-2-ide 3-chloropyridine dichloropalladium 、 lithium hydroxide 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 12.5h， 生成 (3S)-1-[5-[tert-butoxycarbonyl(methyl)amino]-3-pyridyl]piperidine-3-carboxylic acid
  参考文献：
  名称：

  [EN] PROTEIN DEGRADERS AND USES THEREOF
  [FR] AGENTS DE DÉGRADATION DE PROTÉINES ET LEURS UTILISATIONS

  摘要：

  The present invention relates to novel bifunctional compounds, as well as compositions thereof, which modulate KLHDC2 and/or function to recruit targeted proteins to KLHDC2 for degradation. These bifunctional compounds, which find utility as modulators of targeted ubiquitination of a variety of polypeptides and other proteins, are then degraded and/or otherwise inhibited by the bifunctional compounds. In addition, methods of using an effective amount of the inventive compounds are disclosed for the treatment or amelioration of a disease condition, such as cancer.

  公开号：

  WO2023192578A1
• 作为产物：
  描述：

  (5-溴吡啶-3-基)氨基甲酸叔丁酯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 (5-bromo-pyridin-3-yl)-methyl-carbamic acid tert-butyl ester
  参考文献：
  名称：

  [EN] FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE
  [FR] COMPOSÉS BICYCLIQUES FUSIONNÉS UTILISÉS COMME INHIBITEURS DE LA PI3 KINASE

  摘要：

  该发明涉及用于调节磷脂酰肌醇3-激酶活性及相关疾病的化合物（I）的公式。

  公开号：

  WO2010100144A1

文献信息

• Discovery of 7H-pyrrolo[2,3-d]pyrimidine derivatives as selective covalent irreversible inhibitors of interleukin-2-inducible T-cell kinase (Itk)
  作者：Guanghui Tang、Lihong Liu、Xueying Wang、Zhengying Pan

  DOI：10.1016/j.ejmech.2019.03.055

  日期：2019.7

  Interleukin-2-inducible T-cell kinase (Itk) plays an important role in multiple signal transduction pathways in T and mast cells, and is a potential drug target for treating inflammatory diseases, autoimmune diseases, and T cell leukemia/lymphoma. Herein, we describe the discovery of a series of covalent Itk inhibitors based on the 7H-pyrrolo[2,3-d]pyrimidine scaffold. Placing an appropriate substitution

  白介素2诱导型T细胞激酶（Itk）在T和肥大细胞的多种信号转导途径中起着重要作用，并且是治疗炎性疾病，自身免疫性疾病和T细胞白血病/淋巴瘤的潜在药物靶标。在这里，我们描述了基于7 H-吡咯并[2,3- d ]嘧啶骨架的一系列共价Itk抑制剂的发现。在Itk的ATP结合口袋的水合位点处放置一个适当的取代基，并使用饱和的杂环作为反应基团的连接剂，对选择性至关重要。优化的化合物9表现出对Itk的有效活性，对Itk的优于Btk和其他结构相关激酶的选择性，对细胞中磷脂酶C-γ1（PLC-γ1）磷酸化的抑制作用以及对多种T白血病/淋巴瘤细胞系的抗增殖作用。化合物9可用作进一步确定Itk功能的有价值的化合物。
• [EN] HISTONE DEMETHYLASE INHIBITORS<br/>[FR] INHIBITEURS DE L'HISTONE DÉMÉTHYLASE
  申请人：QUANTICEL PHARMACEUTICALS INC

  公开号：WO2016044429A1

  公开（公告）日：2016-03-24

  The present invention relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted pyrido[3,4-d]pyrimidin-4-one derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition of histone demethylase. Furthermore, the subject compounds and compositions are useful for the treatment of cancer, such as prostate cancer, breast cancer, bladder cancer, lung cancer and/or melanoma and the like.

  本发明通常涉及治疗癌症和肿瘤性疾病的组合物和方法。本文提供了替代的吡啶并[3,4-d]嘧啶-4-酮衍生物化合物和包含该化合物的药物组合物。所述化合物和组合物对组蛋白去甲基化酶的抑制有用。此外，所述化合物和组合物对于治疗癌症，如前列腺癌、乳腺癌、膀胱癌、肺癌和/或黑色素瘤等方面是有用的。
• NOVEL BICYCLIC COMPOUND OR SALT THEREOF
  申请人：Kitade Makoto

  公开号：US20130296320A1

  公开（公告）日：2013-11-07

  Provided is a novel bicyclic compound which has an HSP90 inhibitory effect and a carcinostatic effect. Also provided is a pharmaceutical agent which is based on the HSP90 inhibitory effect and is useful in the prevention and/or treatment of a disease involving HSP90, particularly, cancer. The present invention provides a compound represented by the following general formula (I) or a salt thereof wherein at least one of X 1 , X 2 , X 3 , and X 4 represents N or N-oxide and the rest thereof are the same or different and each represent C—R 2 ; any one or two of Y 1 , Y 2 , Y 3 , and Y 4 represent C—R 4 and the rest thereof are the same or different and each represent CH or N; R 1 represents an optionally substituted monocyclic or bicyclic unsaturated heterocyclic group having 1 to 4 heteroatoms selected from N, S, and O; R 2 represents a hydrogen atom, an optionally substituted alkyl group having 1 to 6 carbon atoms etc.; R 3 represents a hydrogen atom, —CO—R 5 etc.; R 4 represents a hydrogen atom, —CO—R 6 , —N(R 7 )(R 8 ) etc.; R 5 represents a hydroxyl group, an amino group etc.; R 6 represents a hydroxyl group etc.; R 7 and R 8 are the same or different and each represent a hydrogen atom, an optionally substituted alkyl group having 1 to 6 carbon atoms etc.; and R 9 represents an optionally substituted cycloalkyl group having 3 to 7 carbon atoms etc.

  提供了一种新颖的双环化合物，具有HSP90抑制作用和抗癌作用。还提供了一种基于HSP90抑制作用的药物剂，用于预防和/或治疗涉及HSP90的疾病，特别是癌症。本发明提供了以下一般式(I)所表示的化合物或其盐，其中X1、X2、X3和X4中的至少一个代表N或N-氧化物，其余部分相同或不同，每个代表C—R2；Y1、Y2、Y3和Y4中的任意一个或两个代表C—R4，其余部分相同或不同，每个代表CH或N；R1代表具有1至4个异原子（N、S和O）的可选择取代的单环或双环不饱和杂环基；R2代表氢原子、具有1至6个碳原子的可选择取代的烷基基团等；R3代表氢原子、—CO—R5等；R4代表氢原子、—CO—R6、—N(R7)(R8)等；R5代表羟基、氨基等；R6代表羟基等；R7和R8相同或不同，每个代表氢原子、具有1至6个碳原子的可选择取代的烷基基团等；R9代表具有3至7个碳原子的可选择取代的环烷基基团等。
• HISTONE DEMETHYLASE INHIBITORS
  申请人：Celgene Quanticel Research, Inc.

  公开号：US20160194323A1

  公开（公告）日：2016-07-07

  The present invention relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted pyrido[3,4-d]pyrimidin-4-one derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition of histone demethylase. Furthermore, the subject compounds and compositions are useful for the treatment of cancer, such as prostate cancer, breast cancer, bladder cancer, lung cancer, melanoma, and the like.

  本发明涉及治疗癌症和肿瘤疾病的组合物和方法。本文提供了取代的吡啶并[3,4-d]嘧啶-4-酮衍生物化合物及包含该化合物的制药组合物。所述化合物和组合物对组蛋白去甲基化酶的抑制具有用途。此外，所述化合物和组合物对治疗癌症，如前列腺癌，乳腺癌，膀胱癌，肺癌，黑色素瘤等具有用途。
• Histone demethylase inhibitors
  申请人：Celgene Quanticel Research, Inc.

  公开号：US10030017B2

  公开（公告）日：2018-07-24

  The present invention relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted pyrido[3,4-d]pyrimidin-4-one derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition of histone demethylase. Furthermore, the subject compounds and compositions are useful for the treatment of cancer, such as prostate cancer, breast cancer, bladder cancer, lung cancer, melanoma, and the like.

  本发明一般涉及治疗癌症和肿瘤性疾病的组合物和方法。本发明提供了取代的吡啶并[3,4-d]嘧啶-4-酮衍生物化合物和包含所述化合物的药物组合物。所述化合物和组合物可用于抑制组蛋白去甲基化酶。此外，所述化合物和组合物还可用于治疗癌症，如前列腺癌、乳腺癌、膀胱癌、肺癌、黑色素瘤等。