(2S,4S)-tert-butyl 2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate | 317357-19-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (2S,4S)-tert-butyl 2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate
• 英文别名: (2S,4S)-1-tert-butoxycarbonyl-4-phenoxy-2-pyrrolidinylmethanol；tert-butyl (2S,4S)-2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate
• CAS: 317357-19-0
• 化学式: C₁₆H₂₃NO₄
• 分子量: 293.363
• InChiKey: KQXJVGJKCCKERE-JSGCOSHPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  59
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2S,4S)-tert-butyl 2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate 在 草酰氯 、 二甲基亚砜 作用下， 以 二氯甲烷 为溶剂， 生成 (2S,4S)-1-tert-butoxycarbonyl-4-phenoxy-2-pyrrolidine carbaldehyde
  参考文献：
  名称：

  [EN] PYRIDAZINONE COMPOUND AS PARP7 INHIBITOR
  [FR] COMPOSÉ PYRIDAZINONE UTILISÉ COMME INHIBITEUR DE PARP7
  [ZH] 作为PARP7抑制剂的哒嗪酮类化合物

  摘要：

  本发明涉及作为PARP7抑制剂的哒嗪酮类化合物，具体地，本发明涉及如式I结构所示的化合物，其可以作为PARP7抑制剂，其可用于制备治疗包括肿瘤在内的疾病的药物。

  公开号：

  WO2022253101A1
• 作为产物：
  描述：

  N-Boc-反式-4-羟基-L-脯氨酸甲酯 在 lithium aluminium tetrahydride 、 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 14.0h， 生成 (2S,4S)-tert-butyl 2-(hydroxymethyl)-4-phenoxypyrrolidine-1-carboxylate
  参考文献：
  名称：

  COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR

  摘要：

  本发明涉及一种由式(I)所表示的化合物、其异构体或其药学上可接受的盐的组合物，其用作IAP抑制剂，以及免疫检查点抑制剂的组合物；以及该组合物在制备癌症治疗药物中的应用。

  公开号：

  US20220175917A1

文献信息

• [EN] TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE<br/>[FR] INHIBITEURS DE MYÉLOPEROXYDASE DE TYPE TRIAZOLOPYRIDINE ET TRIAZOLOPYRIMIDINE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2016040417A1

  公开（公告）日：2016-03-17

  The present invention provides compounds of Formula (I): wherein A and R1 are each as defined in the specification, and compositions comprising any of such novel compounds. These compounds are myeloperoxidase (MPO) inhibitors and/or eosinophil peroxidase (EPX) inhibitors, which may be used as medicaments.

  本发明提供了式（I）的化合物：其中A和R1如规范中所定义，并包括任何此类新化合物的组合物。这些化合物是髓过氧化物酶（MPO）抑制剂和/或嗜酸性粒细胞过氧化物酶（EPX）抑制剂，可用作药物。
• VLA-4 inhibitor compounds
  申请人：Daiichi Pharmaceutical Co., LTD.

  公开号：US20030078249A1

  公开（公告）日：2003-04-24

  Compounds that selectively inhibit the binding of ligands to &agr;4&bgr;1 integrin (VLA-4) and methods for their preparation are disclosed. In one embodiment, compounds of the invention are represented by Formula I: 1 As selective inhibitors of VLA-4 mediated cell adhesion, compounds of the present invention are useful in the treatment of conditions associated with such adhesion, including, but not limited to, such conditions as inflammatory and autoimmune responses, diabetes, asthma, psoriasis, inflammatory bowel disease, transplantation rejection, and tumor metastasis. Also disclosed are pharmaceutical compositions, methods of inhibiting VLA-4 mediated cell adhesion and methods of treating conditions associated with LA-4 mediated cell adhesion, which involve compounds of Formula I.

  本发明公开了选择性抑制配体与α4β1整合素（VLA-4）结合的化合物及其制备方法。在一个实施例中，本发明的化合物由式I表示： 1 作为VLA-4介导的细胞粘附的选择性抑制剂，本发明的化合物可用于治疗与该粘附相关的疾病，包括但不限于炎症和自身免疫反应、糖尿病、哮喘、银屑病、炎症性肠病、移植排斥和肿瘤转移。还公开了包含式I化合物的药物组合物、抑制VLA-4介导的细胞粘附的方法以及治疗与VLA-4介导的细胞粘附相关疾病的方法。
• IAP binding compounds
  申请人：Condon M. Stephen

  公开号：US20060025347A1

  公开（公告）日：2006-02-02

  IAP binding molecules and compositions including these are disclosed. The IAP binding molecules interact with IAPs (inhibitor of apoptosis proteins) in cells and may be used to modify apoptosis in cells treated with such molecules. Embodiments of these compounds have a K d of less that 0.1 micromolar. Methods of using these IAP binding molecules for therapeutic, diagnostic, and assay purposes are also disclosed.

  IAP结合分子及其包含的组成物被公开。IAP结合分子与细胞中的IAP（凋亡抑制蛋白）相互作用，并可用于修改用此类分子处理的细胞的凋亡。这些化合物的实施例具有小于0.1微摩尔的Kd。还公开了使用这些IAP结合分子进行治疗、诊断和检测的方法。
• IAP BIR domain binding compounds
  申请人：Laurent Alain

  公开号：US09284350B2

  公开（公告）日：2016-03-15

  A compound of Formula 1: (I) or salt thereof, as well as methods of making compounds of Formula 1, methods of using compounds of Formula 1 to treat proliferative disorders such as cancer, and related compounds, composition, and methods.

  化合物1的化学式：（I）或其盐，以及制备化合物1的方法，利用化合物1治疗增殖性疾病如癌症的方法，以及相关化合物、组合物和方法。
• CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS
  申请人：Obrecht Daniel

  公开号：US20120270881A1

  公开（公告）日：2012-10-25

  Conformationally restricted, spatially defined 12-30 membered macrocyclic ring systems of formulae Ia and Ib are constituted by three distinct molecular parts: Template A, conformation Modulator B and Bridge C. These macrocycles Ia and Ib are readily manufactured by parallel synthesis or combinatorial chemistry in solution or on solid phase. They are designed to interact with a variety of specific biological target classes, examples being the agonistic or antagonistic activity on G-protein coupled receptors (GPCRs), ion channels and signal transduction pathways. In particular, these macrocycles act as antagonists of the motilin receptor, the FP receptor and the purinergic receptors P2Y 1 , as modulators of the serotonin receptor of subtype 5-HT 2B , as blockers of the voltage-gated potassium channel K v 1.3 and as inhibitors of the β-catenin-dependent “canonical” Wnt pathway. Thus they are showing great potential as medicaments for a variety of diseases.

  具有结构限制的、空间定义的12-30环的大环系统Ia和Ib由三个不同的分子部分构成：模板A、构象调节剂B和桥C。这些大环Ia和Ib可以通过并行合成或溶液中或固相上的组合化学来轻松制备。它们被设计用于与各种特定的生物靶标类相互作用，例如对G蛋白偶联受体（GPCRs）、离子通道和信号转导途径的激动或拮抗活性。特别地，这些大环作为莫蒂林受体的拮抗剂、FP受体和嘌呤受体P2Y1的调节剂、5-HT2B亚型的5-羟色胺受体的调节剂、电压门控钾通道Kv1.3的阻断剂以及β-连环蛋白依赖的“经典”Wnt途径的抑制剂。因此，它们显示出作为各种疾病药物的巨大潜力。