Alloc-Leu-OMe | 128369-74-4

• 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: Alloc-Leu-OMe
• 英文别名: N-(allyloxycarbonyl)leucine methyl ester；methyl (2S)-4-methyl-2-(prop-2-enoxycarbonylamino)pentanoate
• CAS: 128369-74-4
• 化学式: C₁₁H₁₉NO₄
• 分子量: 229.276
• InChiKey: QFQGNBYZXZRPBP-VIFPVBQESA-N

物化性质

• 沸点：
  314.3±35.0 °C(Predicted)
• 密度：
  1.033±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Alloc-Leu-OMe 在 tris(2,2'-bipyridine)nickel(II) tetrafluoroborate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以40%的产率得到L-valyl-L-valine methyl ester
  参考文献：
  名称：

  New and mild allyl carbamate deprotection method catalyzed by electrogenerated nickel complexes

  摘要：

  A Ni(II)-catalyzed electrochemical procedure for the simple and mild deprotection of allyl carbamates to the corresponding amines is described. The amines are obtained in yields of 40-99% and the method is compatible with several functional groups. Electrolyses are carried out in DMF or in THF in single-compartment cells in the presence of a consumable zinc anode. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01223-5
• 作为产物：
  描述：

  (2S)-2-氨基-4-甲基戊酸甲酯 、 氯甲酸烯丙酯 在 碳酸氢钠 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 12.0h， 生成 Alloc-Leu-OMe
  参考文献：
  名称：

  约束构象中含有3-溴异恶唑啉战斗部的新型二肽样罗氏蛋白酶抑制剂的开发

  摘要：

  新型的二肽样罗丹蛋白酶抑制剂含有3-溴异恶唑啉战斗部的约束构象。它们中的一些具有在微摩尔范围内的K i值。我们研究了这些衍生物的结构-活性关系，并进行了对接研究，这使我们能够发现抑制剂与目标酶之间建立的关键相互作用。生物学结果表明，P2和P3取代基的性质及其与S2 / S3口袋的结合是严格相互依赖的。

  DOI：

  10.1016/j.bmc.2015.09.029

文献信息

• [EN] BIOLOGICALLY ACTIVE COMPOUNDS<br/>[FR] COMPOSES A ACTIVITE BIOLOGIQUE
  申请人：AMURA THERAPEUTICS LTD

  公开号：WO2004007501A1

  公开（公告）日：2004-01-22

  Compounds of general formula (I) wherein: Z = CR3R4, where R3 and R4 are independently chosen from CO-7-alkyl P1 = CR5R6, P2 = O, CR7R8 or NR9, Y = CR10R11-C(O) or CR10R11-C(S) or CR10R11-S(O) or CR10R11-SO2 (X)o=.CR16R17 (W)n = 0, S, C(O), S(O) or S(O)2-or NR18 (V)m = C(O), C(S), S(O), S(O)2, S(O)2NH, OC(O), NHC(O), NHS(O), NHS(O)2, OC(O)NH, C(O)NH or CR19R20, C=N-C(O)-OR19 or C=N-C(O)-NHR19, U = a stable. 5- to 7-membered monocyclic or a stable 8- to 11-membered bicyclic ring which is either saturated or unsaturated, and which includes zero to four heteroatoms and their salts, hydrates, solvates, complexes and prodrugs are inhibitors of cathepsin K and other cysteine protease inhibitors and are useful as therapeutic agents, .for example in osteoporosis, Paget's disease gingival diseases such as gingivitis and periodontitis, hypercalaemia of malignancy, metabolic bone disease, diseases involving matrix or cartilage degradation, in particular osteoarthritis and rheumatoid arthritis and neoplastic diseases. The compounds are also useful for validating therapeutic target compounds.

  通式（I）的化合物中：其中：Z = CR3R4，其中R3和R4分别选择自CO-7-烷基P1 = CR5R6，P2 = O，CR7R8或NR9，Y = CR10R11-C（O）或CR10R11-C（S）或CR10R11-S（O）或CR10R11-SO2（X）o = .CR16R17（W）n = 0，S，C（O），S（O）或S（O）2-或NR18（V）m = C（O），C（S），S（O），S（O）2，S（O）2NH，OC（O），NHC（O），NHS（O），NHS（O）2，OC（O）NH，C（O）NH或CR19R20，C = N-C（O）-OR19或C = N-C（O）-NHR19，U = a stable。5-至7-成员单环或稳定的8-至11-成员双环，其饱和或不饱和，并包括零至四个杂原子及其盐、水合物、溶剂合物、络合物和前药是猫hepsin K和其他半胱氨酸蛋白酶抑制剂的抑制剂，并可用作治疗剂，例如在骨质疏松症、Paget病、牙龈疾病如牙龈炎和牙周炎、恶性高钙血症、代谢性骨病、涉及基质或软骨降解的疾病，特别是骨关节炎和类风湿性关节炎和肿瘤性疾病。这些化合物还可用于验证治疗靶点化合物。
• Olefinic N,N'-disubstituted ureas
  申请人：The Standard Oil Company

  公开号：US04977272A1

  公开（公告）日：1990-12-11

  This invention relates to new compounds of the formula: ##STR1## where each of R.sup.1, R.sup.2, R.sup.3, R.sup.4, R.sup.5, R.sup.6 and R.sup.7 has zero to 10 C atoms, and no acetylenic unsaturation; each of R.sup.1, R.sup.2, R.sup.3 and R.sup.4 is independently selected from H and hydrocarbyl; with the proviso that R.sup.6 is C.sub.1 -C.sub.10 hydrocarbyl; each of R.sup.5 and R.sup.7 is independently selected from H, hydrocarbyl and hydrocarbyl substituted with a group selected from: hydrocarbylcarbonylamino, di(hydrocarbylcarbonyl)amino, N-hydrocarbylcarbonyl(N-hydrocarbyl)amino, formylamino, diformylamino, and formyl(N-hydrocarbyl)amino, hydrocarbyloxy, hydrocarbylthio, formyl, formylthio, hydrocarbylcarbonyloxy, hydrocarbylcarbonylthio, hydrocarbyl carboxyl, hydrocarbyl thiocarboxyl, hydrocarbylamino, dihydrocarbylamino, hydrocarbylcarbonyl, 3-indolyl, 3-(1-hydrocarbyl)indolyl, 3-(1-hydrocarbylcarbonyl)indolyl, 3-(1-formyl)indolyl, carbamoyl, hydrocarbylcarbamoyl, dihydrocarbylcarbamoyl, 5-imidazolyl, 5-(3-hydrocarbyl)imidazolyl, 5-(3-hydrocarbylcarbonyl)imidazolyl, and 5-(3-formyl)imidazolyl; and where at least one of R.sup.1, R.sup.2, R.sup.3, R.sup.4, R.sup.5, R.sup.6 and R.sup.7 contains olefinic unsaturation. The invention also relates to addition polymers of such compounds.

  本发明涉及公式为：##STR1##的新化合物，其中R.sup.1，R.sup.2，R.sup.3，R.sup.4，R.sup.5，R.sup.6和R.sup.7中的每一个具有零至10个碳原子，且没有乙炔不饱和度；R.sup.1，R.sup.2，R.sup.3和R.sup.4中的每一个独立地选择自H和烃基；但R.sup.6是C.sub.1-C.sub.10烃基；R.sup.5和R.sup.7中的每一个独立地选择自H，烃基和烃基被选择自：烃基羰基氨基，二（烃基羰基）氨基，N-烃基羰基（N-烃基）氨基，甲酰氨基，二甲酰氨基和甲酰（N-烃基）氨基，烃氧基，烃硫基，甲酰基，甲酰硫基，烃基羰氧基，烃基羰硫基，烃基羧基，烃基硫代羧基，烃基氨基，二烃基氨基，烃基羰基，3-吲哚基，3-（1-烃基）吲哚基，3-（1-烃基羰基）吲哚基，3-（1-甲酰基）吲哚基，氨基甲酰基，烃基氨基甲酰基，二烃基氨基甲酰基，5-咪唑基，5-（3-烃基）咪唑基，5-（3-烃基羰基）咪唑基和5-（3-甲酰基）咪唑基的基团取代的烃基；并且其中至少一个R.sup.1，R.sup.2，R.sup.3，R.sup.4，R.sup.5，R.sup.6和R.sup.7含有烯丙基不饱和度。本发明还涉及这种化合物的加成聚合物。
• Retroviral protease inhibiting compounds
  申请人：Abbott Laboratories

  公开号：US05670675A1

  公开（公告）日：1997-09-23

  A retroviral protease inhibiting compound of the formula A-X-B or a pharmaceutically acceptable salt, prodrug or ester thereof, wherein X is a linking group; A is (1) substituted amino, (2) substituted carbonyl, (3) functionalized imino, (4) functionalized alkyl, (5) functionalized acyl, (6) functionalized heterocyclic or (7) functionalized (heterocyclic)alkyl; and B is (1) substituted carbonyl independently defined as herein, (2) substituted amino independently defined as herein, (3) functionalized imino independently defined as herein, (4) functionalized alkyl independently defined as herein, (5) functionalized acyl independently defined as herein, (6) functionalized heterocyclic independently defined as herein or (7) functionalized (heterocyclic)alkyl independently defined as herein.

  一种具有A-X-B式或其药学上可接受的盐、前药或酯的逆转录病毒蛋白酶抑制剂，其中X是连结基；A是(1)取代氨基，(2)取代羰基，(3)官能化亚胺基，(4)官能化烷基，(5)官能化酰基，(6)官能化杂环或(7)官能化(杂环)烷基；B是(1)取代羰基，独立定义如本文，(2)取代氨基，独立定义如本文，(3)官能化亚胺基，独立定义如本文，(4)官能化烷基，独立定义如本文，(5)官能化酰基，独立定义如本文，(6)官能化杂环，独立定义如本文或(7)官能化(杂环)烷基，独立定义如本文。
• Olefinic aryl oxime derivatives of hydantoins
  申请人：The Standard Oil Company

  公开号：US04868061A1

  公开（公告）日：1989-09-19

  This invention relates to new compounds of the formula: ##STR1## where each of R.sup.1, R.sup.2, R.sup.3, R.sup.4 and R.sup.5 has zero to 10 C atoms, and no acetylenic unsaturation; each of R.sup.1, R.sup.2 and R.sup.3 is independently selected from H and hydrocarbyl; each of R.sup.4 and R.sup.5 is independently selected from H, hydrocarbyl and hydrocarbyl substituted with a group selected from: hydrocarbylcarbonylamino, di(hydrocarbylcarbonyl)amino, N-hydrocarbylcarbonyl(N-hydrocarbyl)amino, formylamino, diformylamino, and formyl(N-hydrocarbyl)amino, hydrocarbyloxy, hydrocarbylthio, formyl, formylthio, hydrocarbylcarbonyloxy, hydrocarbylcarbonylthio, hydrocarbyl carboxyl, hydrocarbyl thiocarboxyl, hydrocarbylamino, dihydrocarbylamino, hydrocarbylcarbonyl, 3-indolyl, 3-(1-hydrocarbyl)indolyl, 3-(1-hydrocarbylcarbonyl)indolyl, 3-(1-formyl)indolyl, carbamoyl, hydrocarbylcarbamoyl, dihydrocarbylcarbamoyl, 5-imidazolyl, 5-(3-hydrocarbyl)imidazolyl, 5-(3-hydrocarbylcarbonyl)imidazolyl, and 5-(3-formyl)imidazolyl, and where at least one of R.sup.1, R.sup.2, R.sup.3, R.sup.4 and R.sup.5 contains olefinic unsaturation. The invention also relates to addition polymers of such compounds.

  本发明涉及公式为：##STR1##的新化合物，其中R.sup.1，R.sup.2，R.sup.3，R.sup.4和R.sup.5中的每一个具有0至10个碳原子，且没有乙炔不饱和度；R.sup.1，R.sup.2和R.sup.3中的每一个独立地选择自H和烃基；R.sup.4和R.sup.5中的每一个独立地选择自H，烃基和被选择自以下群的一种或多种取代的烃基：烃基羰基氨基，二（烃基羰基）氨基，N-烃基羰基（N-烃基）氨基，甲酰氨基，二甲酰氨基和甲酰（N-烃基）氨基，烃氧基，烃硫基，甲酰，甲酰硫，烃基羰氧基，烃基羰硫基，烃基羧基，烃基硫代羧基，烃基氨基，二烃基氨基，烃基羰基，3-吲哚基，3-（1-烃基）吲哚基，3-（1-烃基羰基）吲哚基，3-（1-甲酰基）吲哚基，氨基甲酰基，烃基氨基甲酰基，二烃基氨基甲酰基，5-咪唑基，5-（3-烃基）咪唑基，5-（3-烃基羰基）咪唑基和5-（3-甲酰基）咪唑基的群，其中R.sup.1，R.sup.2，R.sup.3，R.sup.4和R.sup.5中至少一个含有烯丙基不饱和度。本发明还涉及这种化合物的加成聚合物。
• Retroviral protease inhibitors
  申请人：ABBOTT LABORATORIES

  公开号：EP0342541A2

  公开（公告）日：1989-11-23

  A retroviral protease inhibiting compound of the formula: or a pharmaceutically acceptable salt, prodrug or ester thereof.

  一种抑制逆转录病毒蛋白酶的式化合物： 或其药学上可接受的盐、原药或酯。