3-(cyclobutylamino)propanenitrile

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-(cyclobutylamino)propanenitrile
• 英文别名: 3-(Cyclobutylamino)propionitrile
• 化学式: C₇H₁₂N₂
• 分子量: 124.186
• InChiKey: NAHOQKLEEQBXAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(cyclobutylamino)propanenitrile 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 6.0h， 以66%的产率得到N1-cyclobutylpropane-1,3-diamine
  参考文献：
  名称：

  Carbazole-Containing Sulfonamides as Cryptochrome Modulators

  摘要：

  本文涉及含有咔唑基磺胺衍生物及其药用可接受盐或水合物的结构式I，其中变量R1、R2、R3、R4、R5、R6、R7、A、B、C、D、E、F、G、H、a和b分别描述。还提供了包含式I化合物的药物组合物，用于治疗Cry介导的疾病或紊乱，如糖尿病、肥胖症、代谢综合征、库欣综合征和青光眼。

  公开号：

  US20130303524A1
• 作为产物：
  描述：

  环丁基胺 、 丙烯腈 在 desired product 作用下， 以 甲醇 为溶剂， 反应 1.75h， 以to provide a clear liquid (7.7 g, 98%)的产率得到3-(cyclobutylamino)propanenitrile
  参考文献：
  名称：

  CARBAZOLE-CONTAINING AMIDES, CARBAMATES, AND UREAS AS CRYPTOCHROME MODULATORS

  摘要：

  本文主题涉及含有咔唑基的酰胺、氨基甲酸酯和脲衍生物及其结构式I的药学上可接受的盐或水合物，其中变量R1、R2、R3、R4、R5、R6、R7、A、D、E、G、J、L、M、Q、a和b分别描述。还提供了含有式I化合物的药物组合物，用于治疗Cry介导的疾病或疾病，如糖尿病、与糖尿病相关的并发症、库欣综合症、NASH、NAFLD、哮喘和COPD。

  公开号：

  US20150284362A1

文献信息

• Carbazole-Containing Sulfonamides as Cryptochrome Modulators
  申请人：Reset Therapeutics, Inc.

  公开号：US20130303524A1

  公开（公告）日：2013-11-14

  The subject matter herein is directed to carbazole-containing sulfonamide derivatives and pharmaceutically acceptable salts or hydrates thereof of structural formula I wherein the variable R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , A, B, C, D, E, F, G, H, a, and b are accordingly described. Also provided are pharmaceutical compositions comprising the compounds of formula I to treat a Cry-mediated disease or disorder, such as diabetes, obesity, metabolic syndrome, Cushing's syndrome, and glaucoma.

  本文涉及含有咔唑基磺胺衍生物及其药用可接受盐或水合物的结构式I，其中变量R1、R2、R3、R4、R5、R6、R7、A、B、C、D、E、F、G、H、a和b分别描述。还提供了包含式I化合物的药物组合物，用于治疗Cry介导的疾病或紊乱，如糖尿病、肥胖症、代谢综合征、库欣综合征和青光眼。
• Benzamide derivatives as thrombin inhibitors
  申请人：Glaxo Group Limited

  公开号：US06326386B1

  公开（公告）日：2001-12-04

  The invention relates to a novel class of amide derivatives which act as thrombin inhibitors as described by formula (I), where R1 and R2, independently represent a group (a) or R1 and R2 together form a C3-7 heterocycloalkyl or heterocycloalkenyl group which may be optionally substituted by C1-6 alkyl, C1-4 alkoxy, halogen, carboxylic acid or a C1-4 carboxylic acid ester group; R3 represents hydrogen, C1-3 alkyl, halogen, or C1-2 alkoxy; R4, R5 and R6 independently represent hydrogen, or halogen; R7 represents hydrogen or C1-6 alkyl; R8 represents hydrogen, C3-7 cycloalkyl, C3-7 cycloalkenyl, C3-7 heterocycloalkyl, C3-7 heterocycloalkenyl, aryl or heteroaryl, which groups are optionally substituted by one or more groups selected from halogen, hydroxy, CN, C1-6 alkyl, C1-6 alkoxy, C1-6 acyloxy, NR9R10, NHCOR11, NHSO2R12, COR13, CO2R14, CONR15R16, and SO2NHR17; X represents a bond, a C1-6 alkyl chain, or a C3-6 alkenyl chain, where one or two nitrogen, oxygen, or sulfur atoms may be optionally contained within each chain, and the chains are optionally substituted by one or more groups selected from halogen, hydroxy, CN, C1-6 alkyl, C1-6 alkoxy, C1-6 acyloxy, NR9R10, NHCOR11, NHSO2R12, COR13, CO2R14, CONR15R16, and SO2NHR17; R9-R17 represent hydrogen, C1-6 alkyl, or R9 and R10 or R15 and R16 form a C3-7 heterocycloalkyl ring, or R12 additionally may represent trifluoromethyl; and pharmaceutically acceptable derivatives or solvates thereof, to processes for their preparation; and their use in the treatment of clinical conditions susceptible to amelioration by administration of a thrombin inhibitor.

  本发明涉及一种新型酰胺衍生物，作为一种抑制凝血酶的药物。其化学式为（I），其中R1和R2独立地代表一个群（a）或R1和R2共同形成一个C3-7杂环烷基或杂环烯基基团，该基团可以被C1-6烷基，C1-4烷氧基，卤素，羧酸或C1-4羧酸酯基团进行选择性取代；R3代表氢，C1-3烷基，卤素或C1-2烷氧基；R4，R5和R6独立地代表氢或卤素；R7代表氢或C1-6烷基；R8代表氢，C3-7环烷基，C3-7环烯基，C3-7杂环烷基，C3-7杂环烯基，芳基或杂芳基，该基团可以选择性地被一个或多个从卤素，羟基，CN，C1-6烷基，C1-6烷氧基，C1-6酰氧基，NR9R10，NHCOR11，NHSO2R12，COR13，CO2R14，CONR15R16和SO2NHR17中选择的基团所取代；X代表一个键，一个C1-6烷基链或一个C3-6烯基链，其中每个链内可以选择性地包含一个或两个氮，氧或硫原子，并且这些链可以选择性地被一个或多个从卤素，羟基，CN，C1-6烷基，C1-6烷氧基，C1-6酰氧基，NR9R10，NHCOR11，NHSO2R12，COR13，CO2R14，CONR15R16和SO2NHR17中选择的基团所取代；R9-R17代表氢，C1-6烷基，或R9和R10或R15和R16形成一个C3-7杂环烷基环，或R12还可以表示三氟甲基；以及其药学上可接受的衍生物或溶剂，制备它们的方法，以及它们在治疗临床状况中的应用，该状况可以通过给予凝血酶抑制剂进行改善。
• Carbazole-containing sulfonamides as cryptochrome modulators
  申请人：Reset Therapeutics, Inc.

  公开号：US09265772B2

  公开（公告）日：2016-02-23

  The subject matter herein is directed to carbazole-containing sulfonamide derivatives and pharmaceutically acceptable salts or hydrates thereof of structural formula I wherein the variable R1, R2, R3, R4, R5, R6, R7, A, B, C, D, E, F, G, H, a, and b are accordingly described. Also provided are pharmaceutical compositions comprising the compounds of formula I to treat a Cry-mediated disease or disorder, such as diabetes, obesity, metabolic syndrome, Cushing's syndrome, and glaucoma.

  本主题涉及结构式I中含有咔唑基的磺酰胺衍生物及其药学上可接受的盐或水合物，其中变量R1、R2、R3、R4、R5、R6、R7、A、B、C、D、E、F、G、H、a和b相应地描述。还提供了包含式I化合物的药物组合物，用于治疗Cry介导的疾病或紊乱，例如糖尿病、肥胖症、代谢综合征、库欣综合征和青光眼。
• Carbazole-containing amides, carbamates, and ureas as cryptochrome modulators
  申请人：ReSet Therapeutics, Inc.

  公开号：US10005759B2

  公开（公告）日：2018-06-26

  The subject matter herein is directed to carbazole-containing amide, carbamate, and urea derivatives and pharmaceutically acceptable salts or hydrates thereof of structural formula I wherein the variable R1, R2, R3, R4, R5, R6, R7, A, D, E, G, J, L, M, Q, a, and b are accordingly described. Also provided are pharmaceutical compositions containing the compounds of formula I to treat a Cry-mediated disease or disorder, such as diabetes, complications associated with diabetes, Cushing's syndrome, NASH, NAFLD, asthma, and COPD.

  本文的主题涉及结构式 I 的含咔唑的酰胺、氨基甲酸酯和脲衍生物及其药学上可接受的盐或水合物，其中相应地描述了变量 R1、R2、R3、R4、R5、R6、R7、A、D、E、G、J、L、M、Q、a 和 b。还提供了含有式 I 化合物的药物组合物，用于治疗 Cry 介导的疾病或紊乱，如糖尿病、糖尿病相关并发症、库欣综合征、NASH、NAFLD、哮喘和 COPD。
• Structure- and property-based design of factor Xa inhibitors: Pyrrolidin-2-ones with acyclic alanyl amides as P4 motifs
  作者：Robert J. Young、Matthew Campbell、Alan D. Borthwick、David Brown、Cynthia L. Burns-Kurtis、Chuen Chan、Máire A. Convery、Miriam C. Crowe、Satish Dayal、Hawa Diallo、Henry A. Kelly、N. Paul King、Savvas Kleanthous、Andrew M. Mason、Jackie E. Mordaunt、Champa Patel、Anthony J. Pateman、Stefan Senger、Gita P. Shah、Paul W. Smith、Nigel S. Watson、Helen E. Weston、Ping Zhou

  DOI：10.1016/j.bmcl.2006.09.001

  日期：2006.12

  Structure-based drug design was exploited in the synthesis of 3-(6-chloronaphth-2-ylsulfonyl)aminopyrrolidin-2-one-based factor Xa (fXa) inhibitors, incorporating an alanylamide P4 group with acyclic tertiary amide termini. Optimized hydrophobic contacts of one amide substituent in P4 were complemented by hydrophobicity-modulating features in the second, producing potent fXa inhibitors including examples with excellent anticoagulant properties.