(S)-1-(2-氰基乙基氨基)-1-氧代-3-苯基丙烷-2-氨基甲酸叔丁酯 | 131085-22-8

• 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
• 中文名称: (S)-1-(2-氰基乙基氨基)-1-氧代-3-苯基丙烷-2-氨基甲酸叔丁酯
• 英文名称: Nalpha-(tert-Butoxycarbonyl)-N-(2-cyanoethyl)phenylalaninamide
• 英文别名: tert-butyl N-[1-(2-cyanoethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
• CAS: 131085-22-8
• 化学式: C₁₇H₂₃N₃O₃
• mdl: MFCD24390029
• 分子量: 317.4
• InChiKey: BITITUSYBXFCCE-UHFFFAOYSA-N

物化性质

• 沸点：
  574.2±50.0 °C(Predicted)
• 密度：
  1.122±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  91.2
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• Use of nitriles as rotamase inhibitors
  申请人：Jerini AG

  公开号：EP1433778A1

  公开（公告）日：2004-06-30

  The present invention is related to the use of a compound as an inhibitor to a rotamase, whereby the compound has the structure of formula (I):         A-B-C-D     (I) wherein: A is selected from the group comprising B is either present or absent, but if B is present B is C is D is selected from the group comprising -(CH2)rC(O)H, -(CH2)r'C ≡ N, -(CH2)rNHNHC(O)NRA'RA'', -C(CH2)rC(O)(CH2)r'C(O)ORA', -(CH2)rC(O)(CH2)r'C(O)NRA'RA'', -(CH2)rCH(OH)(CH2)r'C(O)U, -(CH2)rC(O)W-(CH2)rC(O)CH2W, -(CH2)rC(O)haloalkyl, and -(CH2)rC(O)(CH2)r'CHN2.

  本发明涉及将一种化合物用作旋转酶的抑制剂，其中该化合物具有以下结构的公式(I)：A-B-C-D (I)其中：A选自包括的群体，B可以存在也可以不存在，但如果B存在，则B是C是D选自包括的群体，-(CH2)rC(O)H，-(CH2)r'C ≡ N，-(CH2)rNHNHC(O)NRA'RA''，-C(CH2)rC(O)(CH2)r'C(O)ORA'，-(CH2)rC(O)(CH2)r'C(O)NRA'RA''，-(CH2)rCH(OH)(CH2)r'C(O)U，-(CH2)rC(O)W-(CH2)rC(O)CH2W，-(CH2)rC(O)haloalkyl，和-(CH2)rC(O)(CH2)r'CHN2。
• Use of nitriles as inhibitors of non-proteolytic enzymes
  申请人：Jerini AG

  公开号：EP1433779A1

  公开（公告）日：2004-06-30

  The present invention is related to the use of a compound as an inhibitor of or to a nonproteolytic enzyme, whereby the compound has the structure of formula (I):         A-B-C-D     (I) wherein: A is selected from the group comprising: B is either present or absent, but if B is present B is C is D is selected from the group comprising -(CH2)rC(O)H, -(CH2)r'C ≡ N, -(CH2)rNHNHC(O)NRA'RA'', -C(CH2)rC(O)(CH2)r'C(O)ORA', -(CH2)rC(O)(CH2)r'C(O)NRA'RA'', -(CH2)rCH(OH)(CH2)r'C(O)U, -(CH2)rC(O)W-(CH2)rC(O)CH2W, -(CH2)rC(O)haloalkyl, and -(CH2)rC(O)(CH2)r'CHN2.

  本发明涉及一种化合物作为非蛋白酶的抑制剂或者与非蛋白酶有关，其中该化合物具有以下结构的公式(I)：A-B-C-D (I)其中：A选自包括的组；B可以存在也可以不存在，但如果B存在，则B是；C是；D选自包括的组。
• Apparatus for curing a composite laminate
  申请人：Knolle Jochen

  公开号：US20060252813A1

  公开（公告）日：2006-11-09

  The present invention is related to a compound of formula (I): A-B-E-D (I), wherein: A is selected from the group consisting R a -L1-K-L2; and (II) B is either present or absent, but if B is present then B is (III), E is (IV), D is selected from the group comprising —(CR 1 R m ) r C(O)H, —(CR 1 R m ) r C—N, —CR 1 R m ) r NHNHC(O)NR 5 R 6 , —(CR 1 R m ) r C(O)(CR n R o ) r c(O)OR 7 , —(CR 1 R m ) r C(O)(Cr n R o ) r C(O)NR 8 R 9 , —(CR 1 R m ) r CH(OH)(Cr n R o ) r C(O)U, —(CR 1 R m ) r C(O)W—(CR 1 R m ) r C(O)CH 2 W, —(CR 1 R m ) r C(O)haloalkyl, and —(CR 1 R m ) r C(O)(CR n R o ) r —CHN 2 , and the use of said compounds as an inhibitor to rotamases.

  本发明涉及一种化合物，其化学式为(I)：A-B-E-D(I)，其中：A选择自Ra-L1-K-L2组成的群；B可以存在或不存在，但如果B存在，则B为(III)；E为(IV)；D选择自—(CR1Rm)rC(O)H、—(CR1Rm)rC—N、—CR1Rm)rNHNHC(O)NR5R6、—(CR1Rm)rC(O)(CRnRo)rc(O)OR7、—(CR1Rm)rC(O)(CrnRo)rC(O)NR8R9、—(CR1Rm)rCH(OH)(CrnRo)rC(O)U、—(CR1Rm)rC(O)W—(CR1Rm)rC(O)CH2W、—(CR1Rm)rC(O)haloalkyl和—(CR1Rm)rC(O)(CRnRo)r—CHN2组成的群，以及所述化合物作为旋转酶抑制剂的用途。