4-Chlor-3-nitro-zimtsaeuremethylester | 20884-03-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 4-Chlor-3-nitro-zimtsaeuremethylester
• 英文别名: 3-(4-chloro-3-nitro-phenyl)-acrylic acid methyl ester；methyl 3-(4-chloro-3-nitrophenyl)prop-2-enoate
• CAS: 20884-03-1
• 化学式: C₁₀H₈ClNO₄
• mdl: MFCD09971347
• 分子量: 241.631
• InChiKey: HQVWYUZVGLAMBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-Chlor-3-nitro-zimtsaeuremethylester 在 palladium-carbon 乙酸乙酯 、 ethyl acetate hydrochloride 、 ethyl acetate n-hexane 作用下， 以 乙酸乙酯 为溶剂， 反应 6.0h， 以to obtain methyl 3-(3-amino-4-chlorophenyl)propionate (4.3 g, 17.2 mmol, 93%) as a colorless powder的产率得到3-(3-氨基-4-氯苯基)丙酸甲酯
  参考文献：
  名称：

  Benzoxazepinones and their use as squalene synthase inhibitors

  摘要：

  公开了一种化合物，其化学式表示为[I]：1，其中R1是可选择的1-羧基乙基基团，可选择的烷基-磺酰基团，可选择的（羧基-环烷基）-烷基基团，-X1-X2-Ar-X3-X4-COOH（其中X1和X4是键或烷基链，X2和X3是键，-O-，-S-，Ar是双价芳香族基等），R2是烷基，可选择地取代烷酰氧基和/或羟基，R3是烷基，W是卤素原子等，或其盐。该化合物具有降低胆固醇和甘油三酯的活性，可用于预防和/或治疗高脂血症。

  公开号：

  US20030078251A1
• 作为产物：
  描述：

  4-氯-3-硝基肉桂酸 以95的产率得到4-Chlor-3-nitro-zimtsaeuremethylester
  参考文献：
  名称：

  J. Med. Chem. 2011, 54, 4694-4720

  摘要：

  DOI：

文献信息

• EP2 RECEPTOR AGONISTS
  申请人：Oxford Alexander William

  公开号：US20100130556A1

  公开（公告）日：2010-05-27

  A compound of formula (III): or a salt, solvate and chemically protected form thereof, wherein: R 5 is an optionally substituted C 5-20 aryl or C 4-20 alkyl group; L′ is a single bond, —O— or —C(═O)—; A is selected from the group consisting of: formulae (i) (ii) (iii) wherein X and Y are selected from the group consisting of: O and CR 3 ; S and CR 3 ; NH and CR 3 ; NH and N; O and N; S and N; N and S; and N and O, and where the dotted lines indicate a double bond in the appropriate location, and where Q is either N or CH; D is selected from: formulae (i) (ii) (iii) (iv) (v) (vii) (viii) (ix) B is selected from the group consisting of: formulae (A) (B) where R P6 is selected from fluoro and chloro; and R 2 is either: (i) —CO 2 H; (ii) —CONH 2 ; (iii) —CH 2 —OH; or (iv) tetrazol-5-yl.

  公式（III）的化合物：或其盐、溶剂合物和化学保护形式，其中：R5是可选择取代的C5-20芳基或C4-20烷基基团；L′是单键，—O—或—C(═O)—；A选自以下组：式（i）（ii）（iii），其中X和Y选自以下组：O和CR3；S和CR3；NH和CR3；NH和N；O和N；S和N；N和S；和N和O，其中虚线表示适当位置的双键，Q是N或CH；D从以下中选择：式（i）（ii）（iii）（iv）（v）（vii）（viii）（ix）B从以下组中选择：式（A）（B），其中RP6选自氟和氯；R2是：（i）—CO2H；（ii）—CONH2；（iii）—CH2—OH；或（iv）四唑-5-基。
• Heterocyclic Compounds
  申请人：Chen Dizhong

  公开号：US20090048300A1

  公开（公告）日：2009-02-19

  The present invention relates to compounds which are inhibitors of histone deacetylase. More particularly, the present invention relates to heterocyclic compounds and methods for their preparation. These compounds may be useful as medicaments for the treatment of proliferative disorders as well as other diseases involving, relating to or associated with enzymes having histone deacetylase (HDAC) activities.

  本发明涉及一种组合物，该组合物是组蛋白去乙酰化酶的抑制剂。更具体地，本发明涉及杂环化合物及其制备方法。这些化合物可能作为药物用于治疗增殖性疾病以及涉及、与或与组蛋白去乙酰化酶（HDAC）活性有关的其他疾病。
• COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT
  申请人：Goh Kay Lin

  公开号：US20100098691A1

  公开（公告）日：2010-04-22

  The present invention relates to a pharmaceutical composition for the treatment of cancer as well as methods of treatment of cancer that are based on the finding that certain benzimidazole based anti-cancer agents can be used in combination with a second anti-cancer agent to achieve desirable therapeutic outcomes. More specifically the present invention relates to a pharmaceutical composition including a benzimidazole based anti-cancer agent and a second anti-cancer agent. The invention also relates to methods of treatment of cancer including administration of a benzimidazole based anti-cancer agent and a second anti-cancer agent to a patient in need thereof.

  本发明涉及一种用于癌症治疗的制药组合物，以及基于发现某些基于苯并咪唑的抗癌药物可以与第二种抗癌药物结合使用以达到理想的治疗效果的癌症治疗方法。更具体地，本发明涉及一种包括基于苯并咪唑的抗癌药物和第二种抗癌药物的制药组合物。本发明还涉及癌症治疗方法，包括向需要治疗的患者施用基于苯并咪唑的抗癌药物和第二种抗癌药物。
• EP2 receptor agonists
  申请人：Asterand UK Limited

  公开号：US08080567B2

  公开（公告）日：2011-12-20

  A compound of formula (III): or a salt, solvate and chemically protected form thereof, wherein: R5 is an optionally substituted C5-20 aryl or C4-20alkyl group; L′ is a single bond, —O— or —C(═O)—; A is selected from the group consisting of: formula (i) (ii) (iii) wherein X and Y are selected from the group consisting of: O and CR3; S and CR3; NH and CR3; NH and N; O and N; S and N; N and S; and N and O, and where the dotted lines indicate a double bond in the appropriate location, and where Q is either N or CH; D is selected from: formula (i) (ii) (iii) (iv) (v) (vii) (viii) (ix) B is selected from the group consisting of: formula (A) (B) where RP6 is selected from fluoro and chloro; and R2 is either: (i) —CO2H; (ii) —CONH2; (iii) —CH2—OH; or (iv) tetrazol-5-yl.

  化合物的化学式(III)：或其盐，溶剂合物和化学保护形式，其中：R5是可选取代的C5-20芳基或C4-20烷基；L'是单键，-O-或-C（=O）-；A选自以下组：公式（i），（ii），（iii），其中X和Y选自以下组：O和CR3；S和CR3；NH和CR3；NH和N；O和N；S和N；N和S；和N和O，其中虚线表示适当位置的双键，Q为N或CH；D选自：公式（i），（ii），（iii），（iv），（v），（vii），（viii），（ix）；B选自以下组：公式（A），（B），其中RP6选自氟和氯；R2为：（i）-CO2H；（ii）-CONH2；（iii）-CH2-OH；或（iv）四唑-5-基。
• Heterocyclic compounds
  申请人：S*BIO Pte Ltd.

  公开号：US08143282B2

  公开（公告）日：2012-03-27

  The present invention relates to compounds which are inhibitors of histone deacetylase. More particularly, the present invention relates to heterocyclic compounds and methods for their preparation. These compounds may be useful as medicaments for the treatment of proliferative disorders as well as other diseases involving, relating to or associated with enzymes having histone deacetylase (HDAC) activities.

  本发明涉及抑制组蛋白去乙酰化酶的化合物。更具体地，本发明涉及杂环化合物及其制备方法。这些化合物可用作治疗增殖性疾病以及涉及、与组蛋白去乙酰化酶（HDAC）活性相关的其他疾病的药物。