3-methyl 1-(phenylmethyl) (3S)-1,3-pyrazolidinedicarboxylate | 635291-66-6

• 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
• 英文名称: 3-methyl 1-(phenylmethyl) (3S)-1,3-pyrazolidinedicarboxylate
• 英文别名: 1-benzyl 3-methyl (3S)-pyrazolidine-1,3-dicarboxylate；pyrazolidine-1,3-dicarboxylic acid 1-benzyl ester 3-methyl ester；1-Benzyl 3-methyl (S)-pyrazolidine-1,3-dicarboxylate；1-O-benzyl 3-O-methyl (3S)-pyrazolidine-1,3-dicarboxylate
• CAS: 635291-66-6
• 化学式: C₁₃H₁₆N₂O₄
• 分子量: 264.281
• InChiKey: ZXNQGMDAGFEJLV-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-methyl 1-(phenylmethyl) (3S)-1,3-pyrazolidinedicarboxylate 在 palladium on activated charcoal 氢气 、 臭氧 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 methyl 8-oxo-6-phenylhexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxylate
  参考文献：
  名称：

  Constrained peptidomimetics: building bicyclic analogs of pyrazoline derivatives

  摘要：

  A synthetic route has been developed for incorporating pyrazoline derivatives as proline surrogates in constrained X-Pro peptidomimetics. The route allows for the synthesis of dipeptide building blocks having either a six or seven-membered-ring annulated onto the pyrazoline moiety, as well as for the asymmetric synthesis of analogs having substituents on N-terminal side of the building block. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.09.027
• 作为产物：
  描述：

  氯甲酸苄酯 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 3-methyl 1-(phenylmethyl) (3S)-1,3-pyrazolidinedicarboxylate
  参考文献：
  名称：

  Constrained peptidomimetics: building bicyclic analogs of pyrazoline derivatives

  摘要：

  A synthetic route has been developed for incorporating pyrazoline derivatives as proline surrogates in constrained X-Pro peptidomimetics. The route allows for the synthesis of dipeptide building blocks having either a six or seven-membered-ring annulated onto the pyrazoline moiety, as well as for the asymmetric synthesis of analogs having substituents on N-terminal side of the building block. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.09.027

文献信息

• PEPTIDE DEFORMYLASE INHIBITORS
  申请人：Aubart Kelly M.

  公开号：US20130345120A1

  公开（公告）日：2013-12-26

  The present invention relates to a compound of Formula (I): or a pharmaceutically acceptable salt thereof, corresponding pharmaceutical compositions, compound preparation and treatment methods directed to bacterial infections and inhibition of bacterial peptide deformylase (PDF) activity.

  本发明涉及一种化合物，其化学式为（I）：或其药学上可接受的盐，相应的制药组合物，化合物制备和治疗方法，用于治疗细菌感染和抑制细菌肽变形酶（PDF）活性。
• Peptide deformylase inhibitors
  申请人：Aubart Kelly M.

  公开号：US08901119B2

  公开（公告）日：2014-12-02

  The present invention relates to a compound of Formula (I): or a pharmaceutically acceptable salt thereof, corresponding pharmaceutical compositions, compound preparation and treatment methods directed to bacterial infections and inhibition of bacterial peptide deformylase (PDF) activity.

  本发明涉及一种化合物，其化学式为（I）：或其药用可接受的盐，相应的药物组合物，化合物制备和治疗方法，用于治疗细菌感染和抑制细菌肽变形酶（PDF）活性。
• Tetrapeptide analogs
  申请人：Chao Bin

  公开号：US20100190688A1

  公开（公告）日：2010-07-29

  Compounds, compositions and methods for treatment of hyperproliferative diseases, such as cancer are provided.

  提供了用于治疗过度增殖性疾病，如癌症的化合物、组合物和方法。
• Tripeptides as caspase modulators
  申请人：Idun Pharmaceuticals, Inc.

  公开号：EP2457896A1

  公开（公告）日：2012-05-30

  Compounds, compositions and methods for treatment of hyperproliferative diseases, such as cancer are provided. or a pharmaceutically acceptable derivative thereof, where: M is CO, SO or SO2; R1sand R2s are selected as follows: (i) R1s is hydrogen, alkyl, alkenyl, alkynyl, aryl, heteroaryl, cycloalkyl or heterocyclyI; and R2s is selected from hydrogen, alkenyl, alkynyl, aryl, heteroaryl, cycloalkyl, heterocyclyl, OR11 and NR15R16, or (ii) R 1sand R2s together with the nitrogen atom on which they are substituted form a heterocyclic or heteroaryl ring; R3s, R4s and R5s are each independently selected from (i) or (ii) as follows: (i) R3s is hydrogen or alkyl; R4s is alkyl; and R5s is selected from hydrogen, alkyl, alkenyl, alkynyl, aryl, heteroaryl, heteroarylium, cycloalkyl, heterocyclyl and NR15R16; (ii )R5s and R3s or R5s and R4s together with the atoms on which they are substituted form heterocyclic or heteroaryl ring and the other of R3s or R4s is selected as (ii); R6s is hydrogen, lower alkyl, lower alkenyl or lower alkynyl; R7s is hydrogen, alkyl, alkenyl, alkynyl, aryl, heteroaryl, cycloalkyl or heterocyclyl. The other variables are as defined in the claims.

  本研究提供了用于治疗过度增殖性疾病（如癌症）的化合物、组合物和方法。 或其药学上可接受的衍生物、 其中 M 是 CO、SO 或 SO2； R1s 和 R2s 选取如下： (i) R1s 是氢、烷基、烯基、炔基、芳基、杂芳基、环烷基或杂环烷基；R2s 选自氢、烯基、炔基、芳基、杂芳基、环烷基、杂环烷基、 OR11 和 NR15R16，或 (ii) R 1s 和 R2s 与它们被取代的氮原子一起形成杂环或杂芳基环； R3s、R4s 和 R5s 各自独立地选自如下的 (i) 或 (ii)： (i) R3s 是氢或烷基；R4s 是烷基；R5s 选自氢、烷基、烯基、炔基、芳基、杂芳基、杂芳脲基、环烷基、杂环烷基和 NR15R16； (ii)R5s 和 R3s 或 R5s 和 R4s 与它们被取代的原子一起形成杂环或杂芳基环，且 R3s 或 R4s 中的另一个选为(ii)； R6s 是氢、低级烷基、低级烯基或低级炔基； R7s 是氢、烷基、烯基、炔基、芳基、杂芳基、环烷基或杂环烷基。 其他变量如权利要求中所定义。
• [EN] TETRAPEPTIDE ANALOGS<br/>[FR] ANALOGUES DE TETRAPEPTIDE
  申请人：IDUN PHARMACEUTICALS INC

  公开号：WO2006017295A3

  公开（公告）日：2007-07-12