1-chloroethyl isopropylcarbamate | 105965-77-3

• 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: 1-chloroethyl isopropylcarbamate
• 英文别名: 1'-chloroethyl isopropylcarbamate；1-Chloroethyl propan-2-ylcarbamate；1-chloroethyl N-propan-2-ylcarbamate
• CAS: 105965-77-3
• 化学式: C₆H₁₂ClNO₂
• 分子量: 165.62
• InChiKey: AIDAPNHQSIQIMD-UHFFFAOYSA-N

物化性质

• 沸点：
  216.0±23.0 °C(Predicted)
• 密度：
  1.089±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-chloroethyl isopropylcarbamate 、 5-[(2S,3S)-1-{trans-4-[1-(tert-butoxycarbonyl)amino-2-fluoroethyl]cyclohexanecarbonyl}-3-cyclohexylpyrrolidine-2-carboxamide]-1-benzofuran-2-carboxylic acid 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 以34%的产率得到1-{[(propan-2-yloxy)carbonyl]oxy}ethyl 5-[(2S,3S)-1-{trans-4-[1-(tert-butoxycarbonyl)amino-2-fluoroethyl]cyclohexanecarbonyl}-3-cyclohexylpyrrolidine-2-carboxamide]-1-benzofuran-2-carboxylate
  参考文献：
  名称：

  EP2876105

  摘要：

  公开号：

文献信息

• [EN] PRODRUGS OF KALLIKREIN INHIBITORS<br/>[FR] PROMÉDICAMENTS D'INHIBITEURS DE LA KALLICRÉINE
  申请人：BIOCRYST PHARM INC

  公开号：WO2018081513A1

  公开（公告）日：2018-05-03

  Disclosed are compounds of formula I, II, and III, and pharmaceutically acceptable salts thereof, which are inhibitors of kallikrein. Also provided are pharmaceutical compositions comprising such a compound, and methods involving use of the compounds and compositions in the treatment and prevention of acquired or hereditary angioedema, or other diseases and conditions characterized by aberrant kallikrein activity. (I) (II) (III)

  公开了式I、II和III的化合物及其药学上可接受的盐，它们是激肽释放酶抑制剂。还提供了包含此类化合物的药物组合物，以及使用这些化合物和组合物治疗和预防获得性或遗传性血管性水肿或其他以异常激肽释放酶活性为特征的疾病和病症的方法。(I) (II) (III)
• [EN] SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS<br/>[FR] RÉACTIFS DE MÉTHYLFORMYLE SUBSTITUÉ ET PROCÉDÉ D'UTILISATION DE CEUX-CI POUR MODIFIER DES PROPRIÉTÉS PHYSICOCHIMIQUES ET/OU PHARMACOCINÉTIQUES DE COMPOSÉS
  申请人：SPHAERA PHARMA PRIVATE LTD

  公开号：WO2012137225A1

  公开（公告）日：2012-10-11

  The present invention relates to the synthesis and application of novel chiral/ achiral substituted methyl formyl reagents to modify pharmaceutical agents and/or biologically active substances to modify the physicochemical, biological and/or pharmacokinetic properties of the resulting compounds from the unmodified original agent.

  本发明涉及合成和应用新型手性/非手性取代甲基甲酰试剂，用于修改药物和/或生物活性物质，以改变未经修改的原始试剂产生的化合物的物理化学、生物学和/或药代动力学性质。
• Novel androstane-17.beta.-carboxylic acid esters
  申请人：Aktiebolaget Draco

  公开号：US04804656A1

  公开（公告）日：1989-02-14

  The invention refers to compounds having anti-inflammatory activity characterized by the formula ##STR1## or a stereoisomeric component thereof, in which formula X.sub.1 represents a hydrogen, chlorine, bromine or fluorine atom; X.sub.2 represents a hydrogen, chlorine, bromine or fluorine atom; R.sub.1 represents a .beta.-hydroxy group, a .beta.-chlorine atom or an oxo group; R.sub.2 represents a hydrogen atom, a methylene group or an .alpha.- or .beta.-methyl group; R.sub.3 represents a hydrogen atom or an acyl group of 1 through 8 carbon atoms; R.sub.4 represents a hydrogen atom, a (C.sub.1 -C.sub.5) alkyl group or a phenyl group; R.sub.5 represents a hydrogen atom, a (C.sub.1 -C.sub.5) alkyl group or a phenyl group; Y represents either CR.sub.7 R.sub.8, O, S or NR.sub.9, where R.sub.7, R.sub.8 and R.sub.9 are selected from hydrogen or from straight or branched hydrocarbon chains having 1-8 carbon atoms or from a phenyl group. R.sub.6 represents a hydrogen; a methyl group; a phenyl or an alkenyl or cycloalkylene group optionally substituted by alkyl, nitro, carboxy, alkoxy, halogen, cyano, carbalkoxy and trifluoromethyl group(s); a (C.sub.1 -C.sub.5) alkyl group substituted by at least one halogen atom; a saturated or unsaturated carbocyclic or heterocyclic (O, S, N) ring system containing 3-10 atoms in the ring system; a C.sub.1 alkyl group substituted by either one or two alicyclic or aromatic 3,4,5 or 6-numbered ring system(s) or one, two or three straight or branched alkyl or alkenyl group(s) of 1 through 18 carbon atoms; and represents a single or double bond. The invention also refers to a process and intermediates for the preparation of these compounds, a pharmaceutical preparation containing one of the compounds and a method for the treatment of inflammatory conditions.

  该发明涉及具有抗炎活性的化合物，其特征化学式为##STR1##或其立体异构体，其中化学式中X.sub.1代表氢、氯、溴或氟原子；X.sub.2代表氢、氯、溴或氟原子；R.sub.1代表β-羟基、β-氯原子或羰基；R.sub.2代表氢原子、亚甲基基团或α-或β-甲基基团；R.sub.3代表氢原子或1至8个碳原子的酰基基团；R.sub.4代表氢原子、(C.sub.1 -C.sub.5)烷基基团或苯基；R.sub.5代表氢原子、(C.sub.1 -C.sub.5)烷基基团或苯基；Y代表CR.sub.7 R.sub.8、O、S或NR.sub.9，其中R.sub.7、R.sub.8和R.sub.9选自氢或由1-8个碳原子的直链或支链烃基链或苯基。R.sub.6代表氢原子；甲基基团；苯基或烯基或环烷基基团，可选择地被烷基、硝基、羧基、烷氧基、卤素、氰基、羰基烷氧基和三氟甲基基团取代；由至少一个卤素原子取代的(C.sub.1 -C.sub.5)烷基基团；含有3-10个原子的饱和或不饱和碳环或杂环(O、S、N)环系统；由一个或两个脂环或芳香3,4,5或6号环系统取代的C.sub.1烷基基团；以及表示单键或双键。该发明还涉及制备这些化合物的过程和中间体，含有其中一种化合物的药物制剂以及用于治疗炎症症状的方法。
• SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS
  申请人：Dugar Sundeep

  公开号：US20140121367A1

  公开（公告）日：2014-05-01

  The present invention relates to the synthesis and application of novel chiral/achiral substituted methyl formyl reagents to modify pharmaceutical agents and/or biologically active substances to modify the physicochemical, biological and/or pharmacokinetic properties of the resulting compounds from the unmodified original agent.

  本发明涉及合成和应用新型手性/无手性取代甲基甲酰试剂来修饰药物和/或生物活性物质，以改变未经修饰的原始试剂的物理化学、生物学和/或药代动力学性质，从而得到改性后的化合物。
• 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE
  申请人：SUMITOMO DAINIPPON PHARMA CO., LTD.

  公开号：US20150210640A1

  公开（公告）日：2015-07-30

  A compound represented by formula (1) (in the formula: ring-D represents a three- to eight-membered hydrocarbon ring; R a represents an optionally substituted amino C 1-6 alkyl group or the like; R b1 and R b2 each independently represent a hydrogen atom, a halogen atom, or the like; R c represents an optionally substituted C 6-10 aryl group or the like; R d represents a hydrogen atom or the like; and ring-Q represents a (hetero)aryl group or the like which may be substituted with a carboxyl group or the like) or a pharmaceutically acceptable salt thereof exhibits an excellent FXIa inhibitory activity, and is useful as a therapeutic agent against thrombosis or the like.

  化合物的化学式为（1）（其中，环D代表3-8个碳原子的碳氢环；R代表可选择性取代的氨基C1-6烷基或类似物；Rb1和Rb2各自独立地代表氢原子、卤素原子或类似物；Rc代表可选择性取代的C6-10芳基或类似物；Rd代表氢原子或类似物；环Q代表（杂）芳基或类似物，可被羧基或类似物取代），或其药学上可接受的盐，具有出色的FXIa抑制活性，可用作治疗血栓或类似疾病的治疗剂。