Ethyl N-tert-butoxycarbonyl-3-cyclobutylamino-propanoate | 266690-67-9

• 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: Ethyl N-tert-butoxycarbonyl-3-cyclobutylamino-propanoate
• 英文别名: ethyl N-(tert-butoxycarbonyl)-N-cyclobutyl-β-alaninate；ethyl 3-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
• CAS: 266690-67-9
• 化学式: C₁₄H₂₅NO₄
• 分子量: 271.357
• InChiKey: QKCXZMAFLFRNSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Ethyl N-tert-butoxycarbonyl-3-cyclobutylamino-propanoate 在 盐酸 、 lithium aluminium tetrahydride 、 偶氮二甲酸二异丙酯 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 14.0h， 生成 N-[3-(4-fluorophenoxy)propyl]cyclobutanaminium chloride
  参考文献：
  名称：

  WO2006/110626

  摘要：

  公开号：
• 作为产物：
  描述：

  丙烯酸乙酯 在 三乙胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 30.0h， 生成 Ethyl N-tert-butoxycarbonyl-3-cyclobutylamino-propanoate
  参考文献：
  名称：

  WO2006/110626

  摘要：

  公开号：

文献信息

• Amidopropoxyphenyl Orexin Receptor Antagonists
  申请人：Coleman Paul J.

  公开号：US20080262046A1

  公开（公告）日：2008-10-23

  The present invention is directed to amidopropoxyphenyl compounds which are antagonists of orexin receptors, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及对嗪类受体拮抗剂的氨基丙氧基苯基化合物，适用于治疗或预防涉及嗪类受体的神经系统和精神疾病和疾病。本发明还涉及包含这些化合物的制药组合物以及这些化合物和组合物在预防或治疗涉及嗪类受体的这些疾病中的用途。
• Serine protease inhibitor
  申请人：Timmers Cornelis Marius

  公开号：US06903107B1

  公开（公告）日：2005-06-07

  A serine protease inhibitor having the formula (I), in which J is H, R 1 , R 1 —O—C(O)—, R 1 —C(O—, R 1 —SO 2 —, R 3 OOC—(CHR 2 ) p —, (R 2a ,R 2b )N—CO—(CHR 2 ) p — or Het-CO—(CHR 2 ) p —; W is an amino-acid of the formula —NH—CHR 1 —C(O)—, —NR 4 —CH((CH 2 ) q C(O)OR 1 )—C(O)—, —NR 4 —CH((CH 2 ) q C(O)N(R 2a ,R 2b ))—C(O)—, —NR 4 —CH((CH 2 ) q C(O)Het)-C(O)—, D-1-Tiq, D-3-Tiq, D-Atc, Aic, D-1-Piq, D-3 Piq, glutanyl or a (C 1 -C 6 ) alkylester thereof; E is —NR 2 —CH 2 — or the fragment which is unsubstituted or substituted with (1-6C)alkyl, (1-6C)alkoxy or benzyloxy; R 1 is selected form (1-12C)alkyl, (2-12C)alkenyl, (2-12C)alkynyl, (3-12C)cycloalkyl and (3-12C)cycloalkyl(1-6C)alkylene, which groups are unsubstituted or substituted with (3-12C)cycloalkyl, (1-6C)alkoxy, oxo, OH, CF 3 or halogen, and from (6-14C)aryl, (7-15C)aralkyl, (8-16C)aralkenyl and (14-20C)(bisary)alkyl, wherein the aryl groups are unsubstituted or substituted with (1-6C)alkyl, (3-12C)cycloalkyl, (1-6C)alkoxy, OH, CF 3 or halogen; R 2 , R 2a and R 2b are each independently selected from H, (1-C)alkyl, (3-8C)alkenyl, (3-8C)alkynyl, (3-8C)cycloalkyl and (3-6C)cycloalkyl(1-4C)alkylene, which are unsubstituted or substituted with (3-6C)cycloalkyl, (1-6C)alkoxy, CF 3 or halogen, and from (6-14C)aryl and (7-15C)aralkyl, wherein the aryl groups are unsubstituted or substituted with (1-6C)alkyl, (3-6C)cycloalkyl, (1-6C)alkoxy, CF 3 or halogen; R 3 is the same as R 2 or is Het-(1-6C)alkyl; R 4 is H or (1-3C)alkyl; X and Y are CH or N, with the proviso that they are not both N; Het is a 4-, 5- or 6-membered heterocycle containing one or more heteroatoms selected from O, N and S; m is 1 or 2; p is 1, 2 or 3; q is 1, 2 or 3; t is 2, 3 or 4; or a pharmaceutically acceptable addition salt or solvate thereof.

  具有式(I)的丝氨酸蛋白酶抑制剂，其中J为H，R1，R1-O-C(O)-，R1-C(O-，R1-SO2-，R3OOC-(CHR2)p-，(R2a，R2b)N-CO-(CHR2)p-或Het-CO-(CHR2)p-； W是式-NH-CHR1-C(O)-，-NR4-CH((CH2)qC(O)OR1)-C(O)-，-NR4-CH((CH2)qC(O)N(R2a，R2b))-C(O)-，-NR4-CH((CH2)qC(O)Het)-C(O)-，D-1-Tiq，D-3-Tiq，D-Atc，Aic，D-1-Piq，D-3-Piq，谷氨酰基或(C1-C6)烷基酯； E是-NR2-CH2-或未取代或取代(1-6C)烷基，(1-6C)烷氧基或苄氧基的片段； R1选择自(1-12C)烷基，(2-12C)烯基，(2-12C)炔基，(3-12C)环烷基和(3-12C)环烷基(1-6C)烷基，这些基团未取代或取代(3-12C)环烷基，(1-6C)烷氧基，氧代，OH，CF3或卤素，以及(6-14C)芳基，(7-15C)芳基烷基，(8-16C)芳基烯基和(14-20C)(双芳基)烷基，其中芳基未取代或取代(1-6C)烷基，(3-12C)环烷基，(1-6C)烷氧基，OH，CF3或卤素； R2，R2a和R2b各自独立地选择自H，(1-C)烷基，(3-8C)烯基，(3-8C)炔基，(3-8C)环烷基和(3-6C)环烷基(1-4C)烷基，这些基团未取代或取代(3-6C)环烷基，(1-6C)烷氧基，CF3或卤素，以及(6-14C)芳基和(7-15C)芳基烷基，其中芳基未取代或取代(1-6C)烷基，(3-6C)环烷基，(1-6C)烷氧基，CF3或卤素； R3与R2相同或为Het-(1-6C)烷基； R4为H或(1-3C)烷基； X和Y为CH或N，但不同时为N； Het是含有O、N和S中的一个或多个杂原子的4、5或6元杂环； m为1或2； p为1、2或3； q为1、2或3； t为2、3或4； 或其药学上可接受的加合物盐或溶剂化合物。
• SERINE PROTEASE INHIBITOR
  申请人：Akzo Nobel N.V.

  公开号：EP1123280A1

  公开（公告）日：2001-08-16
• US6903107B1
  申请人：——

  公开号：US6903107B1

  公开（公告）日：2005-06-07
• [EN] SERINE PROTEASE INHIBITOR<br/>[FR] INHIBITEUR DE LA SERINE PROTEASE
  申请人：AKZO NOBEL NV

  公开号：WO2000024718A1

  公开（公告）日：2000-05-04

  The invention relates to a serine protease inhibitor having formula (I), in which J is H, R1, R1-O-C(O)-, R1-C(O)-, R1-SO2-, R3OOC-(CHR2)p-, (R2a, R2b)N-CO-(CHR2)p- or Het-CO-(CHR2)p-; D is an amino-acid of the formula -NH-CHR1-C(O)-, -NR4-CH[(CH¿2?)qC(O)OR?1¿]-C(O)-, -NR4-CH[(CH¿2?)qC(O)N(R?2a,R2b¿)]-C(O)-, -NR4-CH[(CH¿2?)qC(O)Het]-C(O)-, D-1-Tiq, D-3-Tiq, D-Atc, Aic, D-1-Piq or D 3-Piq; E is -NR?2-CH¿2 or the fragment (a), optionally substituted with (1-6C)alkyl, (1-6C)alkoxy or benzyloxy; R1 is selected from (1-12C)alkyl, (2-12C)alkenyl, (2-12C)alkynyl, (3-12C)cycloalkyl and (3-12C)cycloalkyl(1-6C)alkylene, which groups may optionally be substituted with (3-12C)cycloalkyl, (1-6C)alkoxy, oxo, OH, CF¿3? or halogen, and from (6-14C)aryl, (7-15C)aralkyl, (8-16C)aralkenyl and (14-20C)(bisaryl)alkyl, whereby the aryl groups may optionally be substituted with (1-6C)alkyl, (3-12C)cycloalkyl, (1-6C)alkoxy, OH, CF3 or halogen; R?2, R2a and R2b¿ are each independently selected from H, (1-8C)alkyl, (3-8C)alkenyl, (3-8C)alkynyl, (3-8C)cycloalkyl and (3-6C)cycloalkyl(1-4C)alkylene, which can each be optionally substituted with (3-6C)cycloalkyl, (1-6C)alkoxy, CF¿3? or halogen, and from (6-14C)aryl and (7-15C)aralkyl whereby the aryl groups may optionally be substituted with (1-6C)alkyl, (3-6C)cycloalkyl, (1-6C)alkoxy, CF3 or halogen; R?3¿ is defined for R2 or Het-(1-6C)alkyl; R4 is H or (1-3C)alkyl; X and Y are CH or N with the proviso that they are not both N; Het is a 4-, 5- or 6-membered heterocycle containing one or more heteroatoms selected from O, N and S; m is 1 or 2; p is 1, 2 or 3; q is 1, 2 or 3; t is 2, 3 or 4; or a prodrug; or a pharmaceutically acceptable addition salt and/or solvate thereof and its use in therapy and manufacture of a medicament for treating or preventing thrombin-mediated and thrombin-associated diseases.