D-4-(羧基氨基)-戊酰胺酸4-苄酯 | 19522-39-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: D-4-(羧基氨基)-戊酰胺酸4-苄酯
• 中文别名: 苄氧羰基-谷氨酰胺
• 英文名称: 5-amino-4-(benzyloxycarbonylamino)-5-oxo-pentanoic acid
• 英文别名: 5-Amino-4-(((benzyloxy)carbonyl)amino)-5-oxopentanoic acid；5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
• CAS: 19522-39-5；6398-06-7
• 化学式: C₁₃H₁₆N₂O₅
• 分子量: 280.28
• InChiKey: NHFBOIIKTDKSRE-UHFFFAOYSA-N

物化性质

• 熔点：
  163-165°C
• 溶解度：
  甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  119
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  对硝基苯酚 、 D-4-(羧基氨基)-戊酰胺酸4-苄酯 在 吡啶 、 亚磷酸二苯酯 、 mercury dichloride 作用下， 生成 4-Benzyloxycarbonylamino-4-carbamoyl-butyric acid 4-nitro-phenyl ester
  参考文献：
  名称：

  Reaction ofN-Phosphono Derivatives of Pyridines; IV. A New Method for the Preparation of Active Esters of Amino Acids viaN-Phosphonopyridinium Betaines

  摘要：

  DOI：

  10.1055/s-1974-23352

文献信息

• ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Celgene Corporation

  公开号：US20190008852A1

  公开（公告）日：2019-01-10

  Provided herein is 4-(4-(4-(((2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)oxy)methyl)benzyl)piperazin-1-yl)-3-fluorobenzonitrile, or an enantiomer, a mixture of enantiomers, a tautomer, or a pharmaceutically acceptable salt thereof, and methods for treating, preventing or managing multiple myeloma using such compounds. Also provided are pharmaceutical compositions comprising the compounds, and methods of use of the compositions.

  提供的是4-(4-(4-(((2-(2,6-二氧杂哌啶-3-基)-1-氧代异吲哚啉-4-基)氧基)甲基)苯甲基)哌嗪-1-基)-3-氟苯甲腈，或其对应体，对应体的混合物，互变异构体，或其药物可接受的盐，以及使用这些化合物治疗、预防或管理多发性骨髓瘤的方法。还提供了包含该化合物的药物组合物，以及这些组合物的使用方法。
• TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS
  申请人：Arvinas, Inc.

  公开号：US20180155322A1

  公开（公告）日：2018-06-07

  The present disclosure relates to bifunctional compounds, which find utility as modulators of estrogen receptor (target protein). In particular, the present disclosure is directed to bifunctional compounds, which contain on one end at least one of a Von Hippel-Lindau ligand, a cereblon ligand, Inhibitors of Apoptosis Proteins ligand, mouse double-minute homolog 2 ligand, or a combination thereof, which binds to the respective E3 ubiquitin ligase, and on the other end a moiety which binds the target protein, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of target protein. Diseases or disorders that result from aggregation or accumulation of the target protein are treated or prevented with compounds and compositions of the present disclosure.

  本公开涉及双功能化合物，这些化合物可用作雌激素受体（目标蛋白）的调节剂。特别是，本公开涉及包含在一段至少有一种Von Hippel-Lindau配体、一种cereblon配体、凋亡抑制蛋白配体、小鼠双分钟同源2配体或其组合的双功能化合物，这些配体与相应的E3泛素连接酶结合，在另一端有一个与目标蛋白结合的部分，使得目标蛋白被置于泛素连接酶附近，以实现目标蛋白的降解（和抑制）。本公开展示了与目标蛋白降解/抑制相关的广泛药理活性。可以通过本公开的化合物和组合物治疗或预防由目标蛋白聚集或积累引起的疾病或障碍。
• METHODS OF TREATING BREAST CANCER WITH TETRAHYDRONAPHTHALENE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS
  申请人：Arvinas Operations, Inc.

  公开号：US20210060008A1

  公开（公告）日：2021-03-04

  The present application relates to treating and/or preventing breast cancer, including locally advanced or metastatic, ER+, HER2− breast cancer, in a subject in need of treatment, comprising administering a compound of Formula (I), or a pharmaceutically acceptable salt, enantiomer, stereoisomer, solvate, polymorph, isotopic derivative, or prodrug thereof, wherein R 1 , R 2 , R 3 , R 4 , m, and n are defined herein.

  本申请涉及治疗和/或预防乳腺癌，包括局部晚期或转移性、ER+、HER2−乳腺癌，在需要治疗的受试者中，包括施用公式(I)的化合物， 或其药用可接受的盐、对映体、立体异构体、溶剂化物、多态性、同位素衍生物或前药，其中R 1 、R 2 、R 3 、R 4 、m和n在此定义。
• ANTIPROLIFERATIVE COMPOUNDS AND SECOND ACTIVE AGENTS FOR COMBINED USE
  申请人：Celgene Corporation

  公开号：US20200215060A1

  公开（公告）日：2020-07-09

  Provided herein are methods of using 4-(4-(4-(((2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)oxy)methyl)benzyl)piperazin-1-yl)-3-fluorobenzonitrile, or an enantiomer, a mixture of enantiomers, a tautomer, or a pharmaceutically acceptable salt thereof, in combination with a second active agent for treating, preventing or managing multiple myeloma. The second active agent is one or more of a BTK inhibitor, an mTOR inhibitor, a PIM inhibitor, an IGF-1R inhibitor, an MEK inhibitor, an XPO1 inhibitor, a DOT1L inhibitor, an EZH2 inhibitor, a JAK2 inhibitor, a BRD4 inhibitor, a PLK 1 inhibitor, an NEK2 inhibitor, an AURKB inhibitor, a BIRC5 inhibitor, a BET inhibitor, or a DNA methyltransferase inhibitor.

  本文提供了使用4-(4-(4-(((2-(2,6-二氧代哌啶-3-基)-1-氧代异吲哚啉-4-基)氧基)甲基)苄基)哌嗪-1-基)-3-氟苯甲腈，或其对映体、对映体混合物、互变异构体或其药学上可接受的盐，与第二活性剂结合用于治疗、预防或管理多发性骨髓瘤的方法。第二活性剂是BTK抑制剂、mTOR抑制剂、PIM抑制剂、IGF-1R抑制剂、MEK抑制剂、XPO1抑制剂、DOT1L抑制剂、EZH2抑制剂、JAK2抑制剂、BRD4抑制剂、PLK1抑制剂、NEK2抑制剂、AURKB抑制剂、BIRC5抑制剂、BET抑制剂或DNA甲基转移酶抑制剂中的一个或多个。
• PHARMACEUTICAL COMPOSITIONS COMPRISING (S)-4-(4-(4-(((2-(2,6-DIOXOPIPERIDIN-3-YL)-1-OXOISOINDOLIN-4-YL)OXY)METHYL)BENZYL)PIPERAZIN-1-YL)-3-FLUOROBENZONITRILE AND METHODS OF USING THE SAME
  申请人：Celgene Corporation

  公开号：US20200215061A1

  公开（公告）日：2020-07-09

  Provided herein are pharmaceutical compositions (e.g., oral dosage formulations) comprising (S)-4-(4-(4-(((2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)oxy)methyl)benzyl)piperazin-1-yl)-3-fluorobenzonitrile, or an enantiomer, mixture of enantiomers, tautomer, isotopolog, or pharmaceutically acceptable salt thereof, and a carrier or diluent. Also provided herein are methods of preparing and methods of using the pharmaceutical compositions.

  本文提供了包含(S)-4-(4-(4-(((2-(2,6-二氧代哌啶-3-基)-1-氧代异吲哚-4-基)氧甲基)苄基)哌嗪-1-基)-3-氟苯甲腈，或其对映体、对映体混合物、互变异构体、同位素替代物或其药用可接受盐，以及载体或稀释剂的药物组合物（例如口服剂型）。本文还提供了制备方法和使用药物组合物的方法。