N-(2-((2-Hydroxypropyl)amino)-2-oxoethyl)-2-methyl-2-propenamide | 153986-34-6

• 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: N-(2-((2-Hydroxypropyl)amino)-2-oxoethyl)-2-methyl-2-propenamide
• 英文别名: N-[2-(2-hydroxypropylamino)-2-oxoethyl]-2-methylprop-2-enamide
• CAS: 153986-34-6
• 化学式: C₉H₁₆N₂O₃
• 分子量: 200.23
• InChiKey: VZKBEZDJWDUUFH-UHFFFAOYSA-N

物化性质

• 沸点：
  501.5±50.0 °C(Predicted)
• 密度：
  1.101±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  78.4
• 氢给体数：
  3
• 氢受体数：
  3

文献信息

• Taxol enhancer compounds
  申请人：Synta Pharmaceuticals Corp.

  公开号：US20030195258A1

  公开（公告）日：2003-10-16

  Disclosed is a compound represented by the Structural Formula (I): 1 Y is a covalent bond, a phenylene group or a substituted or unsubstituted straight chained hydrocarbyl group. In addition, Y, taken together with both >C═Z groups to which it is bonded, is a substituted or unsubstituted aromatic group. Preferably, Y is a covalent bond or —C(R 7 R 8 )—. R 1 and R 2 are independently an aryl group or a substituted aryl group, R 3 and R 4 are independently —H, an aliphatic group, a substituted aliphatic group, an aryl group or a substituted aryl group. R 5 -R 6 are independently —H, an aliphatic group, a substituted aliphatic group, an aryl group or a substituted aryl group. R 7 and R 8 are each independently —H, an aliphatic or substituted aliphatic group, or R 7 is —H and R 8 is a substituted or unsubstituted aryl group, or, R 7 and R 8 , taken together, are a C1-C6 substituted or unsubstituted alkylene group. Z is ═O or ═S. Also disclosed are pharmaceutical compositions comprising the compound of the present invention and a pharmaceutically acceptable carrier or diluent. Also disclosed is a method of treating a subject with cancer by administering to the subject a compound of Structural Formula (I) in combination with taxol or an analog of taxol.

  揭示的是一种由结构式（I）表示的化合物： Y是一个共价键，一个苯基团或一个取代或未取代的直链烃基团。此外，Y与其结合的两个>C═Z基团一起，是一个取代或未取代的芳香基团。优选地，Y是一个共价键或—C(R7R8)—。R1和R2分别是芳基或取代芳基，R3和R4分别是—H，一个脂肪基，一个取代的脂肪基，一个芳基或一个取代的芳基。R5-R6分别是—H，一个脂肪基，一个取代的脂肪基，一个芳基或一个取代的芳基。R7和R8各自独立地是—H，一个脂肪或取代的脂肪基，或者R7是—H，R8是一个取代或未取代的芳基，或者R7和R8一起是一个C1-C6取代或未取代的烷基基团。Z是═O或═S。还公开了包含本发明化合物的药物组合物以及药学上可接受的载体或稀释剂。还公开了一种通过向患有癌症的受试者投与结构式（I）的化合物联合紫杉醇或紫杉醇类似物来治疗患者的方法。
• Polymeric conjugates of antitumor agents
  申请人：——

  公开号：US20030195152A1

  公开（公告）日：2003-10-16

  Water soluble polymeric conjugates of antitumor agents of formula (A) P-[W 2 ] p -S 0 -[W 1 ] r -[D] wherein: P is a water soluble polymer; [W 1 ] is a residue of formula —HN-Z 1 -CO— in which Z 1 represents a linear or branched C2-C12 alkylene chain or the residue of formula —C6HC—CH2—O—; [W 2 ] is a residue of formula —HN-Z2-CO— in which Z2 represents a C2-C12 linear or branched alkylene chain; p and r are 0 or 1; S0 is a peptide that selectively is cleaved at the tumor site mainly by the action of the matrix metalloproteinases gelatinase; [D] is the residue of an antitumor agent. The conjugates possess enhanced antitumor activity and decreased toxicity with respect to the free drug. A process for their preparation, useful intermediates and pharmaceutical compositions containing them are also described.

  公式（A）P-[W2]p-S0-[W1]r-[D]的抗肿瘤剂水溶性高分子共轭物中：P是一种水溶性高分子；[W1]是化学式—HN-Z1-CO—的残基，其中Z1表示线性或支链的C2-C12烷基链或化学式—C6HC—CH2—O—的残基；[W2]是化学式—HN-Z2-CO—的残基，其中Z2表示C2-C12线性或支链烷基链；p和r为0或1；S0是一种肽，在肿瘤部位主要由基质金属蛋白酶明胶酶作用选择性裂解；[D]是抗肿瘤剂的残基。这些共轭物具有增强的抗肿瘤活性和相对于自由药物而言的降低毒性。还描述了它们的制备过程、有用的中间体和包含它们的药物组合物。
• Paclitaxel enhancer compounds
  申请人：Koya Keizo

  公开号：US20080214655A1

  公开（公告）日：2008-09-04

  Disclosed is a compound represented by the Structural Formula (I): Y is a covalent bond, a phenylene group or a substituted or unsubstituted straight chained hydrocarbyl group. In addition, Y, taken together with both >C=Z groups to which it is bonded, is a substituted or unsubstituted aromatic group. Preferably, Y is a covalent bond or —C(R 7 R 8 )—. R 1 and R 2 are independently an aryl group or a substituted aryl group, R 3 and R 4 are independently —H, an aliphatic group, a substituted aliphatic group, an aryl group or a substituted aryl group. R 5 -R 6 are independently —H, an aliphatic group, a substituted aliphatic group, an aryl group or a substituted aryl group. R 7 and R 8 are each independently —H, an aliphatic or substituted aliphatic group, or R 7 is —H and R 8 is a substituted or unsubstituted aryl group, or, R 7 and R 8 , taken together, are a C2-C6 substituted or unsubstituted alkylene group. Z is ═O or ═S. Also disclosed are pharmaceutical compositions comprising the compound of the present invention and a pharmaceutically acceptable carrier or diluent. Also disclosed is a method of treating a subject with cancer by administering to the subject a compound of Structural Formula (I) in combination with Paclitaxel or an analog of Paclitaxel.

  本发明揭示了一种由结构式（I）表示的化合物： 其中，Y是共价键，苯基或取代或未取代的直链烃基团。此外，Y与其连接的两个>C=Z基团一起，是取代或未取代的芳香族基团。优选地，Y是共价键或—C（R7R8）—。R1和R2分别是芳基基团或取代芳基基团，R3和R4分别是—H、脂肪基、取代脂肪基、芳基或取代芳基。R5-R6分别是—H、脂肪基、取代脂肪基、芳基或取代芳基。R7和R8各自独立地是—H、脂肪基或取代脂肪基，或者R7是—H，R8是取代或未取代的芳基基团，或者R7和R8一起是C2-C6取代或未取代的烷基基团。Z是═O或═S。本发明还揭示了包含本发明化合物和药学可接受的载体或稀释剂的制药组合物。本发明还揭示了一种通过将Paclitaxel或Paclitaxel类似物与结构式（I）的化合物联合给予受试者治疗癌症的方法。
• Fluoro linkers and their use as linkers for enzyme-activated drug conjugates
  申请人：Angelucci Francesco

  公开号：US20050107543A1

  公开（公告）日：2005-05-19

  The present invention provides compounds or formula (1) R 1 —HN—CH 2 —CF 2 —(CH 2 ) l —CR 3 R 4 —CO—R 2 , wherein: l is 0, 1 or 2, R 1 is a labile amino protecting group, R 2 is hydroxy group or the residue or an activated ester or halogen atom; R 3 and R 4 are independently hydrogen atom or C 1 -C 4 alkyl chain. There are also provided their preparation and the water-soluble conjugates based on these linkers, endowed with selective anticancer activity.

  本发明提供了式 (1) R 1 -HN-CH 2 -CF 2 -(CH 2 ) l -CR 3 R 4 -CO-R 2 其中： l 是 0、1 或 2，R 1 是易变氨基保护基团，R 2 是羟基或残基或活化酯或卤原子； R 3 和 R 4 独立地为氢原子或 C 1 -C 4 烷基链。此外，还提供了它们的制备方法和基于这些连接体的水溶性共轭物，这些共轭物具有选择性抗癌活性。
• POLYMER-BOUND PACLITAXEL DERIVATIVES
  申请人：FARMITALIA CARLO ERBA S.r.l.

  公开号：EP0600062A1

  公开（公告）日：1994-06-08