2,4-二氧代-2,4-二氢-1H-苯并[1,3]恶嗪-6-羧酸 | 77423-13-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 中文名称: 2,4-二氧代-2,4-二氢-1H-苯并[1,3]恶嗪-6-羧酸
• 中文别名: 2,4-二氧代-2,4-二氢-1H-苯并[d][1,3]噁嗪-6-羧酸
• 英文名称: 5-carboxyisatoic anhydride
• 英文别名: 2,4-dioxo-2,4-dihydro-1H-benzo[d][1,3]oxazine-6-carboxylic acid；6-Carboxyisatosaeureanhydrid；7-carboxyisatoic anhydride；5-carboxylisatoic anhydride；2,4-dioxo-1,4-dihydro-2H-3,1-benzoxazine-6-carboxylic acid；2,4-dioxo-1H-3,1-benzoxazine-6-carboxylic acid
• CAS: 77423-13-3
• 化学式: C₉H₅NO₅
• 分子量: 207.142
• InChiKey: RTAAAHDNZMQESJ-UHFFFAOYSA-N

物化性质

• 熔点：
  >360 °C
• 密度：
  1.607±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  92.7
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P264,P273,P280,P280,P391
• 危险性描述：
  H315,H317,H319,H400

反应信息

• 作为反应物：
  描述：

  2,4-二氧代-2,4-二氢-1H-苯并[1,3]恶嗪-6-羧酸 在 盐酸 、 lithium sulfide 、 三溴化硼 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 丙酮 为溶剂， 反应 42.75h， 生成 N-{5-chloro-2-[(2-thienylsulfonyl)amino]phenyl}-1-methyl-3-oxo-1,3-dihydro-2,1-benzisothiazole-5-carboxamide
  参考文献：
  名称：

  BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS

  摘要：

  本发明涉及新型苯并异噻唑-3(1H)-酮-5-磺酰衍生物，其制备方法，含有它们的药物组合物以及它们作为药物的用途，用作化学因子受体的调节剂。

  公开号：

  US20130150413A1
• 作为产物：
  描述：

  4-硝基苯基-1,3-二甲酸 在 palladium 10% on activated carbon 氢气 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 24.0h， 生成 2,4-二氧代-2,4-二氢-1H-苯并[1,3]恶嗪-6-羧酸
  参考文献：
  名称：

  [EN] NEUROTRYPSIN INHIBITORS
  [FR] INHIBITEURS DE LA NEUROTRYPSINE

  摘要：

  公开号：

  WO2012059442A3

文献信息

• Novel 1,2,3-substituted indolizine derivatives, inhibitors of fgfs, method for making same and pharmaceutical compositions containing same
  申请人：Badorc Alain

  公开号：US20050203126A1

  公开（公告）日：2005-09-15

  Compounds of formula I or salts thereof: in which R 1 represents —OH, (C 1 -C 5 )alkoxy, carboxyl, (C 2 -C 6 )alkoxycarbonyl, —NR 5 R 6 , —NH—SO 2 -Alk, —NH—SO 2 -Ph, —NH—CO-Ph, —N(Alk)-CO-Ph, —NH—CO—NH-Ph, —NH—CO-Alk, —NH—CO 2 -Alk, —O—(CH 2 ) n -cAlk, —O-Alk-COOR 7 , —O-Alk-O—R 8 , —O-Alk-OH, —O-Alk-C(NH 2 ):NOH, —O-Alk-NR 5 R 6 , —O-Alk-CN, —O—(CH 2 ) n -Ph, —O-Alk-CO—NR 5 R 6 , —CO—NH—(CH 2 ) m —COOR 7 , —CO—NH-Alk R 2 represents H, (C 1 -C 5 )alkyl, (C 1 -C 5 )alkyl halide, (C 3 -C 6 )cycloalkyl or phenyl which is optionally substituted, A represents —CO—, —SO— or —SO 2 —, R 3 and R 4 which are identical or different, each represent H, (C 1 -C 5 )alkoxy, amino, carboxyl, (C 2 -C 6 )alkoxycarbonyl, —OH, nitro, hydroxyamino, -Alk-COOR 7 , —NR 5 R 6 , —NH-Alk-COOR 7 , —NH—COO-Alk, —N(R 11 )—SO 2 -Alk-NR 9 R 10 , —N(R 11 )—SO 2 -Alk, —N(R 11 )-Alk-NR 5 R 6 , —N(R 11 )—CO-Alk-NR 9 R 10 , —N(R 11 )—CO-Alk, —N(R 11 )—CO—CF 3 , —NH-Alk-HetN, —O-Alk-NR 9 R 10 , —O-Alk-CO—NR 5 R 6 , —O-Alk-HetN, or R 3 and R 4 form together a 5- to 6-membered unsaturated heterocycle, are inhibitors of basic fibroblast growth factors.

  化学式I或其盐的化合物：其中R1代表—OH，(C1-C5)烷氧基，羧基，(C2-C6)烷氧羰基，—NR5R6，—NH—SO2-Alk，—NH—SO2-Ph，—NH—CO-Ph，—N(Alk)-CO-Ph，—NH—CO—NH-Ph，—NH—CO-Alk，—NH—CO2-Alk，—O—(CH2)n-烷基，—O-Alk-COOR7，—O-Alk-O—R8，—O-Alk-OH，—O-Alk-C(NH2):NOH，—O-Alk-NR5R6，—O-Alk-CN，—O—(CH2)n-Ph，—O-Alk-CO—NR5R6，—CO—NH—(CH2)m—COOR7，—CO—NH-AlkR2代表H，(C1-C5)烷基，(C1-C5)烷基卤化物，(C3-C6)环烷基或苯基，可选择性地取代，A代表—CO—，—SO—或—SO2—，R3和R4相同或不同，各自代表H，(C1-C5)烷氧基，氨基，羧基，(C2-C6)烷氧羰基，—OH，硝基，羟胺基，-Alk-COOR7，—NR5R6，—NH-Alk-COOR7，—NH—COO-Alk，—N(R11)—SO2-Alk-NR9R10，—N(R11)—SO2-Alk，—N(R11)-Alk-NR5R6，—N(R11)—CO-Alk-NR9R10，—N(R11)—CO-Alk，—N(R11)—CO—CF3，—NH-Alk-HetN，—O-Alk-NR9R10，—O-Alk-CO—NR5R6，—O-Alk-HetN，或R3和R4共同形成5-至6-成员不饱和杂环，是基本成纤维细胞生长因子的抑制剂。
• Novel 1,2,3-Substituted Indolizine Derivatives, Inhibitors of FGFs, Method for Preparing Them and Pharmaceutical Compositions Containing Them
  申请人：BADORC Alain

  公开号：US20090023770A1

  公开（公告）日：2009-01-22

  The present invention relates to novel 1,2,3-substituted indolizine derivative which are inhibitors of fibroblast growth factors, to methods or preparing such derivatives, to pharmaceutical compositions comprising such derivatives, and to methods of treatment comprising such derivatives.

  本发明涉及新型1,2,3-取代吲哚嗪衍生物，它们是成纤维细胞生长因子的抑制剂，涉及制备这种衍生物的方法，涉及包含这种衍生物的制药组合物，以及涉及使用这种衍生物的治疗方法。
• 1,2,3-substituted indolizine derivatives, inhibitors of fgfs, method for making same and pharmaceutical compositions containing same
  申请人：Sanofi-Aventis

  公开号：US07442708B2

  公开（公告）日：2008-10-28

  Compounds of formula I or salts thereof: in which R1 represents —OH, (C1-C5)alkoxy, carboxyl, (C2-C6)alkoxycarbonyl, —NR5R6, —NH—SO2-Alk, —NH—SO2-Ph, —NH—CO-Ph, —N(Alk)-CO-Ph, —NH—CO—NH-Ph, —NH—CO-Alk, —NH—CO2-Alk, —O—(CH2)n-cAlk, —O-Alk-COOR7, —O-Alk-O—R8, —O-Alk-OH, —O-Alk-C(NH2):NOH, —O-Alk-NR5R6, —O-Alk-CN, —O—(CH2)n-Ph, —O-Alk-CO—NR5R6, —CO—NH—(CH2)m—COOR7, —CO—NH-Alk R2 represents H, (C1-C5)alkyl, (C1-C5)alkyl halide, (C3-C6)cycloalkyl or phenyl which is optionally substituted, A represents —CO—, —SO— or —SO2—, R3 and R4 which are identical or different, each represent H, (C1-C5)alkoxy, amino, carboxyl, (C2-C6)alkoxycarbonyl, —OH, nitro, hydroxyamino, -Alk-COOR7, —NR5R6, —NH-Alk-COOR7, —NH—COO-Alk, —N(R11)—SO2-Alk-NR9R10, —N(R11)—SO2-Alk, —N(R11)-Alk-NR5R6, —N(R11)—CO-Alk-NR9R10, —N(R11)—CO-Alk, —N(R11)—CO—CF3, —NH-Alk-HetN, —O-Alk-NR9R10, —O-Alk-CO—NR5R6, —O-Alk-HetN, or R3 and R4 form together a 5- to 6-membered unsaturated heterocycle, are inhibitors of basic fibroblast growth factors.

  化合物I的公式或其盐： 其中 R1代表-OH，(C1-C5)烷氧基，羧基，(C2-C6)烷氧羰基，-NR5R6，-NH-SO2-Alk，-NH-SO2-Ph，-NH-CO-Ph，-N（Alk）-CO-Ph，-NH-CO-NH-Ph，-NH-CO-Alk，-NH-CO2-Alk，-O-(CH2)n-烷基，-O-Alk-COOR7，-O-Alk-O-R8，-O-Alk-OH，-O-Alk-C（NH2）：NOH，-O-Alk-NR5R6，-O-Alk-CN，-O-(CH2)n-Ph，-O-Alk-CO-NR5R6，-CO-NH-(CH2)m-COOR7，-CO-NH-Alk R2代表H，(C1-C5)烷基，(C1-C5)烷基卤代，(C3-C6)环烷基或苯基，可选地取代 A代表-CO-，-SO-或-SO2- R3和R4相同或不同，每个代表H，(C1-C5)烷氧基，氨基，羧基，(C2-C6)烷氧羰基，-OH，硝基，羟基氨基，-Alk-COOR7，-NR5R6，-NH-Alk-COOR7，-NH-COO-Alk，-N（R11）-SO2-Alk-NR9R10，-N（R11）-SO2-Alk，-N（R11）-Alk-NR5R6，-N（R11）-CO-Alk-NR9R10，-N（R11）-CO-Alk，-N（R11）-CO-CF3，-NH-Alk-HetN，-O-Alk-NR9R10，-O-Alk-CO-NR5R6，-O-Alk-HetN，或R3和R4一起形成5-至6-成员的不饱和杂环，是基本成纤维细胞生长因子的抑制剂。
• 1,2,3-substituted indolizine derivatives, inhibitors of FGFs, method for preparing them and pharmaceutical compositions containing them
  申请人：Sanofi-Aventis

  公开号：US07803811B2

  公开（公告）日：2010-09-28

  The present invention relates to novel 1,2,3-substituted indolizine derivative which are inhibitors of fibroblast growth factors, to methods or preparing such derivatives, to pharmaceutical compositions comprising such derivatives, and to methods of treatment comprising such derivatives.

  本发明涉及一种新型的1,2,3-取代吲哚嗪衍生物，其为成纤维细胞生长因子的抑制剂，以及制备这种衍生物的方法，包括含有这种衍生物的制药组合物，以及包括这种衍生物的治疗方法。
• NEUROTRYPSIN INHIBITORS
  申请人：Ahmed Shaheen

  公开号：US20130261130A1

  公开（公告）日：2013-10-03

  The invention relates to acylamino-phthalic acid amides and related compounds of formula (I) wherein A is —CON—R 3 R 4 , —NR 5 COR 6 , —NHR 7 , —OR 8 , —SR 9 , —CH 2 NR 10 R 11 , —(CH2)2-R 12 , —CH═CH—R 12 , —C≡C—R 12 , optionally substituted phenyl, optionally substituted thiophenyl, or optionally substituted 1,2,3-triazol-4-yl, W is hydrogen, hydroxy or carboxymethoxy, Y is carboxy, methoxycarbonyl or 2H-tetrazol-5-yl, and the various substituents R have the meanings indicated in the description. These compounds are useful for the treatment and/or prophylaxis of skeletal muscle atrophy, schizophrenia and Alzheimer's disease, and as cognitive enhancers.

  本发明涉及式（I）的酰胺基苯甲酸和相关化合物，其中A为—CON—R3R4，—NR5COR6，—NHR7，—OR8，—SR9，—CH2NR10R11，—（CH2）2-R12，—CH═CH—R12，—C≡C—R12，可选取代苯基，可选取代噻吩基，或可选取代1，2，3-三唑-4-基；W为氢、羟基或羧甲氧基；Y为羧基、甲氧羰基或2H-四唑-5-基；各取代基R的含义如说明中所示。这些化合物可用于治疗和/或预防骨骼肌萎缩、精神分裂症和阿尔茨海默病，并作为认知增强剂。