tert-butyl 3-(hydroxymethyl)-2,5-dihydro-1H-pyrrole-1-carboxylate | 126092-60-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: tert-butyl 3-(hydroxymethyl)-2,5-dihydro-1H-pyrrole-1-carboxylate
• 英文别名: tert-butyl 3-(hydroxymethyl)-2,5-dihydropyrrole-1-carboxylate
• CAS: 126092-60-2
• 化学式: C₁₀H₁₇NO₃
• 分子量: 199.25
• InChiKey: CBAIXISQPHQSCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 3-(hydroxymethyl)-2,5-dihydro-1H-pyrrole-1-carboxylate 、 三氟乙酸 反应 1.0h， 生成
  参考文献：
  名称：

  2-(3-Pyrrololin-1-yl)-1,4-naphthoquinones：光活化烷基化剂

  摘要：

  报道了 2-(3-pyrrolin-1-yl)-1,4-naphthoquinones 的制备及其作为光活化烷化剂的用途。通过将相应的 3-吡咯啉与各种萘醌进行共轭加成，很容易合成标题化合物。暴露于环境室内光线后，这些化合物会发生内部氧化还原反应，形成 2-(pyrrol-1-yl)-1,4-hydroquinone，其被活化为

  DOI：

  10.1002/ejoc.200800482
• 作为产物：
  描述：

  N-叔丁氧羰基-2,5-二氢吡咯-3-羧酸乙酯 在 sodium hydroxide 、 二异丁基氢化铝 作用下， 以 四氢呋喃 、 正己烷 、 水 为溶剂， 生成 tert-butyl 3-(hydroxymethyl)-2,5-dihydro-1H-pyrrole-1-carboxylate
  参考文献：
  名称：

  3-AMINOETHYL-N-AMIDINO-2,5-DIHYDROPYRROLE DERIVATIVES HAVING ARGININE MIMETIC PROPERTIES

  摘要：

  本发明涉及新的式（I）的胍基吡咯烷衍生物，其中符号的含义如描述中所示，以及它们的生产过程和在制药制剂中的应用。

  公开号：

  US20020026034A1

文献信息

• PYRROLOPYRIMIDINE AND PURINE DERIVATIVES
  申请人：Cheng Hengmiao

  公开号：US20130079324A1

  公开（公告）日：2013-03-28

  The present invention relates to compounds of formula (I) or pharmaceutically acceptable salts thereof, wherein Q, T, V, W, X, Y, Z, ring A, R 1 , R 2 , R 3 , R 4 , R 5 , R 5a , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 , R 13 , R 14 , R 15 , R 16 , R 17 and m are defined herein. There novel pyrrolopyrimidine and purine derivatives are useful in the treatment of abnormal cell growth, such as cancer, in mammals. Additional embodiments relate to pharmaceutical compositions containing the compounds and to methods of using the compounds and compositions in the treatment of abnormal cell growth in mammals.

  本发明涉及式（I）的化合物或其药学上可接受的盐，其中Q、T、V、W、X、Y、Z、环A、R1、R2、R3、R4、R5、R5a、R6、R7、R8、R9、R10、R11、R12、R13、R14、R15、R16、R17和m在此定义。这些新颖的吡咯嘧啶和嘌呤衍生物在哺乳动物中治疗异常细胞生长，如癌症方面具有用处。另外，本发明还涉及含有这些化合物的药物组合物，以及在哺乳动物中治疗异常细胞生长的方法。
• [EN] HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE PROTEASE ASPARTYLE HETEROCYCLIQUE
  申请人：SCHERING CORP

  公开号：WO2005058311A1

  公开（公告）日：2005-06-30

  Disclosed are compounds of the formula (I) or a stereoisomer, tautomer, or pharmaceutically acceptable salt or solvate thereof. Also disclosed is the method of inhibiting aspartyl protease, and in particular, the methods of treating cardiovascular diseases, cognitive and neurodegenerative diseases, and the methods of inhibiting of Human Immunodeficiency Virus, plasmepins, cathepsin D and protozoal enzymes. Also disclosed are methods of treating cognitive or neurodegenerative diseases using the compounds of formula (I) in combination with a cholinesterase inhibitor or a muscarinic antagonist.

  本发明揭示了公式（I）的化合物或其立体异构体，互变异构体或药物可接受的盐或溶剂。还揭示了抑制天冬氨酸蛋白酶的方法，特别是治疗心血管疾病、认知和神经退行性疾病的方法，以及抑制人类免疫缺陷病毒、贫血原虫酶、D蛋白酶和原虫酶的方法。还揭示了使用公式（I）的化合物与胆碱酯酶抑制剂或肌动药拮抗剂相结合治疗认知或神经退行性疾病的方法。
• Heterocyclic aspartyl protease inhibitors
  申请人：Zhu Zhaoning

  公开号：US20080200445A1

  公开（公告）日：2008-08-21

  Disclosed are compounds of the formula I or a stereoisomer, tautomer, or pharmaceutically acceptable salt or solvate thereof, wherein W is a bond, —C(═S)—, —S(O)—, —S(O) 2 —, —C(═O)—, —O—, —C(R 6 )(R 7 )—, —N(R 5 )— or —C(═N(R 5 ))—; X is —O—, —N(R 5 )— or —C(R 6 )(R 7 )—; provided that when X is —O—, U is not —O—, —S(O)—, —S(O) 2 —, —C(═O)— or —C(═NR 5 )—; U is a bond, —S(O)—, —S(O) 2 —, —C(O)—, —O—, —P(O)(OR 15 )—, —C(═NR 5 )—, —(C(R 6 )(R 7 )) b — or —N(R 5 )—; wherein b is 1 or 2; provided that when W is —S(O)—, —S(O) 2 —, —O—, or —N(R 5 )—, U is not —S(O)—, —S(O) 2 —, —O—, or —N(R 5 )—; provided that when X is —N(R 5 )— and W is —S(O)—, —S(O) 2 —, —O—, or —N(R 5 )—, then U is not a bond; and R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , and R 7 are as defined in the specification; and pharmaceutical compositions comprising the compounds of formula 1. Also disclosed is the method of inhibiting aspartyl protease, and in particular, the methods of treating cardiovascular diseases, cognitive and neurodegenerative diseases, and the methods of inhibiting of Human Immunodeficiency Virus, plasmepins, cathepsin D and protozoal enzymes. Also disclosed are methods of treating cognitive or neurodegenerative diseases using the compounds of formula I in combination with a cholinesterase inhibitor or a muscarinic m 1 agonist or m 2 antagonist.

  本发明涉及公式I的化合物或其立体异构体、互变异构体或药学上可接受的盐或溶剂，其中W是键，—C(═S)—，—S(O)—，—S(O)2—，—C(═O)—，—O—，—C(R6)(R7)—，—N(R5)—或—C(═N(R5))—；X是—O—，—N(R5)—或—C(R6)(R7)—；但当X为—O—时，U不是—O—，—S(O)—，—S(O)2—，—C(═O)—或—C(═NR5)—；U是键，—S(O)—，—S(O)2—，—C(O)—，—O—，—P(O)(OR15)—，—C(═NR5)—，—(C(R6)(R7))b—或—N(R5)—；其中b为1或2；但当W为—S(O)—，—S(O)2—，—O—或—N(R5)—时，U不是—S(O)—，—S(O)2—，—O—或—N(R5)—；当X为—N(R5)—且W为—S(O)—，—S(O)2—，—O—或—N(R5)—时，U不是键；R1、R2、R3、R4、R5、R6和R7如规范中所定义；以及包括公式1的化合物的药物组合物。本发明还涉及抑制天冬氨酸蛋白酶的方法，特别是治疗心血管疾病、认知和神经退行性疾病的方法，以及抑制人类免疫缺陷病毒、贫血原虫、D蛋白酶和原虫酶的方法。本发明还涉及使用公式I的化合物与胆碱酯酶抑制剂或肌动蛋白m1受体激动剂或m2受体拮抗剂相结合治疗认知或神经退行性疾病的方法。
• Peptides containing an arginine mimetic for the treatment of bone metabolic disorders, their production, and drugs containing these compounds
  申请人：Roche Diagnostics GmbH

  公开号：US06429288B1

  公开（公告）日：2002-08-06

  Arginine mimetic peptides according to Formula I of this application have a stimulating effect on bone formation and are useful for the treatment of bone metabolic disorders.

  本申请书中的公式I所述的精氨酸类似肽具有促进骨形成的作用，并且对于治疗骨代谢紊乱非常有用。
• Amidinopyrroline derivatives, processes for their production and
  申请人：Boehringer Mannheim GmbH

  公开号：US05856309A1

  公开（公告）日：1999-01-05

  Compound of formula (I) are disclosed ##STR1## as well as optically active isomers or pharmacologically acceptable salts thereof. The compounds are useful active ingredients in pharmaceutical compositions, and methods of treating osteoporosis, inflammation or diseases which are due to thromboembolic events. Compounds of formula (II) are also disclosed ##STR2## which are useful as starting compounds for preparing compounds of formula (I).

  公式（I）的化合物被披露，如下所示：##STR1## 以及其光学活性异构体或药理学上可接受的盐。这些化合物是制备药物组合物的有用活性成分，并用于治疗骨质疏松症、炎症或由血栓栓塞事件引起的疾病的方法。公式（II）的化合物也被披露，如下所示：##STR2## 这些化合物是制备公式（I）的化合物的有用起始化合物。