(S)-1-Boc-3-羧基吡咯烷甲酯 | 313706-15-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: (S)-1-Boc-3-羧基吡咯烷甲酯
• 中文别名: (S)-1-BOC-吡咯-3-甲酸甲酯；(S)-1-叔丁氧羰基-3-羧基吡咯烷甲酯
• 英文名称: O(1)-tert-butyl O(3)-methyl (3S)-pyrrolidine-1,3-dicarboxylate
• 英文别名: 1-(tert-butyl) 3-methyl (S)-pyrrolidine-1,3-dicarboxylate；(S)-1-tert-butyl-3-methylpyrrolidine-1,3-dicarboxylate；(S)-1-tert-butyl 3-methylpyrrolidin-1,3-dicarboxylate；(S)-Pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester；(S)-1-Boc-pyrrolidine-3-carboxylic acid methyl ester；1-O-tert-butyl 3-O-methyl (3S)-pyrrolidine-1,3-dicarboxylate
• CAS: 313706-15-9
• 化学式: C₁₁H₁₉NO₄
• 分子量: 229.276
• InChiKey: LIWFYAVKYUQMRE-QMMMGPOBSA-N

物化性质

• 沸点：
  288.6±33.0 °C(Predicted)
• 密度：
  1.120±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8℃

反应信息

• 作为反应物：
  描述：

  (S)-1-Boc-3-羧基吡咯烷甲酯 在 水 、 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 以77%的产率得到(S)-1-Boc-吡咯烷-3-甲酸
  参考文献：
  名称：

  Discovery of a Potent, Dual Serotonin and Norepinephrine Reuptake Inhibitor

  摘要：

  The objective of the described research effort was to identify novel serotonin and norepinephrine reuptake inhibitor (SNRI) with improved norepinephrine transporter activity and acceptable metabolic stability and exhibiting minimal drug-drug interaction. We describe herein the discovery of a series of 3-substituted pyrrolidines exemplified by compound 1. Compound 1 is a selective SNRI in vitro and in vivo has favorable ADME properties, and retains inhibitory activity in the formalin model of pain behavior. Compound 1 thus represents a potential new probe to explore utility of SNRIs in central nervous system disorders, including,chronic: pain conditions.

  DOI：

  10.1021/ml400049p
• 作为产物：
  描述：

  1-Boc-吡咯烷-3-甲酸甲酯 在 potassium carbonate 作用下， 以 aq. phosphate buffer 为溶剂， 反应 20.5h， 以49.8%的产率得到(S)-1-Boc-3-羧基吡咯烷甲酯
  参考文献：
  名称：

  Discovery of a Potent, Dual Serotonin and Norepinephrine Reuptake Inhibitor

  摘要：

  The objective of the described research effort was to identify novel serotonin and norepinephrine reuptake inhibitor (SNRI) with improved norepinephrine transporter activity and acceptable metabolic stability and exhibiting minimal drug-drug interaction. We describe herein the discovery of a series of 3-substituted pyrrolidines exemplified by compound 1. Compound 1 is a selective SNRI in vitro and in vivo has favorable ADME properties, and retains inhibitory activity in the formalin model of pain behavior. Compound 1 thus represents a potential new probe to explore utility of SNRIs in central nervous system disorders, including,chronic: pain conditions.

  DOI：

  10.1021/ml400049p

文献信息

• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：INFLAZOME LTD

  公开号：WO2019211463A1

  公开（公告）日：2019-11-07

  The present invention relates to substituted 5-membered nitrogen containing heteroaryl compounds, such as sulfonyl triazoles, where the heteroaryl ring is further substituted, optionally via a linking group such as -NH-, with a cyclic group which in turn is substituted at the α-position. The present invention further relates to associated salts, solvates, prodrugs and pharmaceutical compositions, and to the use of such compounds in the treatment and prevention of medical disorders and diseases, most especially by NLRP3 inhibition.

  本发明涉及取代的含氮杂环化合物，例如磺酰基三唑，其中杂环环进一步取代，可选地通过类似-NH-的连接基团，与环状基团相连，该环状基团在α-位置进一步取代。本发明还涉及相关的盐、溶剂合物、前药和药物组合物，以及这些化合物在治疗和预防医学疾病和疾病中的使用，尤其是通过NLRP3抑制。
• [EN] ARYLOXYACETYLINDOLES AND ANALOGS AS ANTIBIOTIC TOLERANCE INHIBITORS<br/>[FR] ARYLOXYACÉTYLINDOLES ET ANALOGUES EN TANT QU'INHIBITEURS DE TOLÉRANCE AUX ANTIBIOTIQUES
  申请人：SPERO THERAPEUTICS INC

  公开号：WO2016112088A1

  公开（公告）日：2016-07-14

  The disclosure provides compounds and pharmaceutical compositions of aryloxyacetylindoles compounds and analogs useful for treating chronic and acute bacterial infections. Certain of the compounds are compounds of general Formula (I) (I) or a pharmaceutically acceptable salt or prodrug thereof. Certain compounds of this disclosure are MvfR inhibitors. MvfR inhibitors reduce the formation of antibiotic tolerant bacterial strains and are useful for treating Gram-negative bacterial infections and reducing the virulence of Pseudomonas aeruginosa. Methods of treating bacterial infections in a subject, including Pseudomonas aeruginosa infections, are also provided by the disclosure.

  该披露提供了芳基氧乙酰基吲哚化合物及类似物的化合物和药物组合物，用于治疗慢性和急性细菌感染。其中某些化合物是一般式(I)（I）的化合物或其药用可接受的盐或前药。该披露的某些化合物是MvfR抑制剂。MvfR抑制剂减少抗生素耐药细菌菌株的形成，对治疗革兰氏阴性细菌感染和减少铜绿假单胞菌的毒力有用。该披露还提供了治疗受试者细菌感染的方法，包括铜绿假单胞菌感染。
• FUSED HETEROCYCLIC COMPOUND
  申请人：Lee Chang Seok

  公开号：US20110166121A1

  公开（公告）日：2011-07-07

  The present invention relates to a fused heterocyclic compound having the Formula 1, which is useful as a platelet aggregation inhibitor, a method for preparing the same, and a pharmaceutical composition for inhibiting platelet aggregation comprising the same.

  本发明涉及具有化学式1的融合杂环化合物，其作为血小板聚集抑制剂有用，以及制备该化合物的方法，以及包含该化合物的用于抑制血小板聚集的药物组合物。
• [EN] LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DES RÉCEPTEURS D'ACIDE LYSOPHOSPHATIDIQUE
  申请人：INTERMUNE INC

  公开号：WO2013025733A1

  公开（公告）日：2013-02-21

  Compounds, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds to treat, prevent or diagnose diseases, disorders, or conditions associated with one or more of the lysophosphatidic acid receptors are provided.

  提供了化合物、制备这种化合物的方法、包含这种化合物的药物组合物和药物，以及使用这种化合物治疗、预防或诊断与一种或多种赖氨酸磷脂酸受体相关的疾病、紊乱或状况的方法。
• Enzymatic Resolution of <i>N</i>-Substituted-β-prolines
  作者：Javier Mendiola、Susana García-Cerrada、Óscar de Frutos、María Luz de la Puente、Rui Lin Gu、Vien V. Khau

  DOI：10.1021/op8002097

  日期：2009.3.20

  A general and straightforward strategy for enzymatic resolution of N-substituted-beta-proline has been successfully designed and developed in our research laboratories. A first affinity screen is followed by ratio enzyme/substrate optimization to source our chemistry groups N-substituted-beta-proline in kilogram scale in an efficient and cost-effective way.