[7-Benzo[1,3]dioxol-5-yl-2,5-dioxo-3-(4-trifluoromethyl-phenyl)-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl]-phenylacetic acid | 528848-71-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: [7-Benzo[1,3]dioxol-5-yl-2,5-dioxo-3-(4-trifluoromethyl-phenyl)-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl]-phenylacetic acid
• 英文别名: 2-[7-(1,3-Benzodioxol-5-yl)-2,5-dioxo-3-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-phenylacetic acid
• CAS: 528848-71-7
• 化学式: C₃₁H₂₁F₃N₂O₆
• 分子量: 574.513
• InChiKey: PKURQJOSYTZTDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  42
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• [EN] SUBSTITUTED 1,4-BENZODIAZEPINES AND USES THEREOF FOR THE TREATMENT OF CANCER<br/>[FR] 1,4-BENZODIAZEPINES SUBSTITUEES ET LEURS UTILISATIONS POUR LE TRAITEMENT DU CANCER
  申请人：DIMENSIONAL PHARM INC

  公开号：WO2003041715A1

  公开（公告）日：2003-05-22

  The present invention is directed to novel 1,4-benzodiazepines, pharmaceutical compositions thereof, and the use thereof as inhibitors of HDM2-p53 interactions. Compounds have formula (I) or a solvate, hydrate or pharmaceutically acceptable salt thereof; wherein: X and Y are independently -C(O)-, CH2- or -C(S)-; R?1, R2, R3, R4, R7, R8, Rb, Rc, Rd¿ and M are defined herein, R5 is hydrogen, alkyl cycloalkyl, optionally substituted aryl, optionally substituted heteroaryl, optionally substituted aralkyl, optionally substituted heteroaryl, carboxyalkyl, alkoxycarbonyl, alkoxycarbonylalkyl, aminocarbonyl, aminocarbonylalkyl, alkylaminocarbonyl or alkylaminocarbonylalkyl; R6 is cycloalkyl, aryl, heteroaryl, cycloalkylalkyl, aralkyl, heteroarylalkyl, or a saturated or partially unsaturated heterocycle, each of which is optionally substituted; R9 is cycloalkyl, aryl, heteroaryl, a saturated or partially unsaturated heterocycle, cycloalkyl(alkyl), aralkyl or heteroarylalkyl, each of which is optionally substituted; and R10 is -(CH¿2?)n-CO2R?b¿, -(CH¿2?)m-CO2M, -(CH2)i-OH or -(CH2)j-CONR?cRd¿ n is 0-8, m is 0-8, i is 1-8 and j is 0-8.

  本发明涉及新型1,4-苯二氮平类化合物、其制药组合物以及作为HDM2-p53相互作用抑制剂的用途。化合物具有式(I)或其溶剂化物、水合物或药学上可接受的盐；其中：X和Y独立地为-C（O）-、CH2-或-C（S）-；R?1、R2、R3、R4、R7、R8、Rb、Rc、Rd¿和M的定义如本文所述，R5为氢、烷基环烷基、可选取代芳基、可选取代杂环芳基、可选取代芳基烷基、可选取代杂环芳基、羧基烷基、烷氧基羧酸酯、烷氧基羧酸酯烷基、氨基甲酰基、氨基甲酰基烷基、烷基氨基甲酰基或烷基氨基甲酰基烷基；R6为环烷基、芳基、杂环芳基、环烷基烷基、芳基烷基、杂环芳基烷基或饱和或部分不饱和杂环，每个都可以取代；R9为环烷基、芳基、杂环芳基、饱和或部分不饱和杂环、环烷基（烷基）、芳基烷基或杂环芳基烷基，每个都可以取代；R10为-( )n-CO2R?b¿、-( )m-CO2M、-( )i-OH或-( )j-CONR?cRd¿，其中n为0-8，m为0-8，i为1-8，j为0-8。
• Substituted 1,4-benzodiazepines and uses thereof
  申请人：——

  公开号：US20030109518A1

  公开（公告）日：2003-06-12

  The present invention is directed to novel 1,4-benzodiazepines, pharmaceutical compositions thereof, and the use thereof as inhibitors of HDM2-p53 interactions. Compounds have Formula I: 1 or a solvate, hydrate or pharmaceutically acceptable salt thereof; wherein: X and Y are independently —C(O)—, —CH 2 — or —C(S)—; R 1 , R 2 , R 3 , R 4 , R 7 , R 8 , R b , R c , R d and M are defined herein; R 5 is hydrogen, alkyl, cycloalkyl, optionally substituted aryl, optionally substituted heteroaryl, optionally substituted aralkyl, optionally substituted heteroaralkyl, carboxyalkyl, alkoxycarbonyl, alkoxycarbonylalkyl, aminocarbonyl, aminocarbonylalkyl, alkylaminocarbonyl or alkylaminocarbonylalkyl; R 6 is cycloalkyl, aryl, heteroaryl, cycloalkylalkyl, aralkyl, heteroarylalkyl, or a saturated or partially unsaturated heterocycle, each of which is optionally substituted; R 9 is cycloalkyl, aryl, heteroaryl, a saturated or partially unsaturated heterocycle, cycloalkyl(alkyl), aralkyl or heteroarylalkyl, each of which is optionally substituted; and R 10 is —(CH 2 ) n —CO 2 R b , —(CH 2 ) m —CO 2 M, —(CH 2 ) i —OH or —(CH 2 ) j —CONR c R d n is 0-8, m is 0-8, i is 1-8 and j is 0-8.

  本发明涉及新型1,4-苯二氮平化合物，其药物组合物以及作为HDM2-p53相互作用抑制剂的用途。化合物具有公式I：1或其溶剂化物，水合物或药学上可接受的盐；其中：X和Y独立地为—C（O）—，—CH2—或—C（S）—；R1、R2、R3、R4、R7、R8、Rb、Rc、Rd和M在此定义；R5为氢，烷基，环烷基，可选取代芳基，可选取代杂环芳基，可选取代芳基烷基，可选取代杂环芳基烷基，羧基烷基，烷氧羰基，烷氧羰基烷基，氨基羰基，氨基羰基烷基，烷基氨基羰基或烷基氨基羰基烷基；R6为环烷基，芳基，杂环芳基，环烷基烷基，芳基烷基，杂环芳基烷基或饱和或部分不饱和杂环，每个都可以选择性地取代；R9为环烷基，芳基，杂环芳基，饱和或部分不饱和杂环，环烷基（烷基），芳基烷基或杂环芳基烷基，每个都可以选择性地取代；R10为—（ ）n—CO2Rb，—（ ）m—CO2M，—（ ）i—OH或—（ ）j—CONRcRd，其中n为0-8，m为0-8，i为1-8，j为0-8。
• SUBSTITUTED 1,4-BENZODIAZEPINES AND USES THEREOF FOR THE TREATMENT OF CANCER
  申请人：3-DIMENSIONAL PHARMACEUTICALS, INC.

  公开号：EP1443937A1

  公开（公告）日：2004-08-11
• US7067512B2
  申请人：——

  公开号：US7067512B2

  公开（公告）日：2006-06-27