7-methyloxazolo[4,5-b]pyridin-2(3H)-one | 1388050-48-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶唑并吡啶类
• 英文名称: 7-methyloxazolo[4,5-b]pyridin-2(3H)-one
• 英文别名: 7-methyl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
• CAS: 1388050-48-3
• 化学式: C₇H₆N₂O₂
• 分子量: 150.137
• InChiKey: VKQWRCKQQDOMRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-methyloxazolo[4,5-b]pyridin-2(3H)-one 在 bis-triphenylphosphine-palladium(II) chloride 、 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 溴 、 potassium acetate 、 sodium acetate 、 sodium carbonate 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 、 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 23.0h， 生成 N-(4-(3,7-dimethyl-2-oxo-2,3-dihydrooxazolo[4,5-b]pyridin-6-yl)phenyl)-2,6-difluorobenzamide
  参考文献：
  名称：

  SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS

  摘要：

  该发明涉及式(I)的化合物及其药用可接受盐，其中取代基如本文所述，并且它们在医学上用于治疗与钙释放激活钙（CRAC）通道调节相关的疾病和紊乱。该发明还涉及含有这种化合物的药物组合物，用于治疗与钙释放激活钙（CRAC）通道调节剂相关的疾病和紊乱。其中，环D是式(a)或式(b)：A和B，可以相同也可以不同，分别独立地为CR3或N；Y为CR3或N；L选自—NR2C(O)—、—C(O)NR2—和—NR2CRaRb—；Ra和Rb独立地为氢、卤素或取代或未取代的烷基；环E选自式(i)至式(vii)。

  公开号：

  US20160145268A1
• 作为产物：
  描述：

  2-氨基-3-羟基-4-甲基吡啶 、 N,N'-羰基二咪唑 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以33.8%的产率得到7-methyloxazolo[4,5-b]pyridin-2(3H)-one
  参考文献：
  名称：

  BICYCLIC (THIO)CARBONYLAMIDINES

  摘要：

  双环(thio)羰基脲类化合物的化学式为(I)，其中Q、B、Y、R1和A的定义详见说明书，本发明涉及其制备方法以及在控制植物害虫和兽医学中遇到的害虫中的应用。

  公开号：

  US20140113824A1

文献信息

• [EN] SHP2 INHIBITORS<br/>[FR] INHIBITEURS DE SHP2
  申请人：IRBM S P A

  公开号：WO2021028362A1

  公开（公告）日：2021-02-18

  The present invention relates to new compounds capable of inhibiting the activity of SHP2 phosphatase, having the general Formula (I).

  本发明涉及一种能够抑制SHP2磷酸酶活性的新化合物，其具有一般式(I)。
• HETEROARYLS AND USES THEREOF
  申请人：MILLENNIUM PHARMACEUTICALS, INC.

  公开号：US20130165464A1

  公开（公告）日：2013-06-27

  This invention provides compounds of formula IB: and also provides compounds of formulas ID, IIB, VB, and IIC: wherein HY, R 1 , R 2 , G 5 , G 6 , G 7 , G 8 , and G 9 are as described in the specification. The compounds are inhibitors of VPS34 and/or PI3K and are thus useful for treating proliferative, inflammatory, or cardiovascular disorders.

  这项发明提供了以下式IB的化合物： 并且还提供了以下式ID、IIB、VB和IIC的化合物： 其中HY、R1、R2、G5、G6、G7、G8和G9如规范中所述。这些化合物是VPS34和/或PI3K的抑制剂，因此对于治疗增殖性、炎症性或心血管疾病是有用的。
• IMIDAZO[4, 5-B]PYRIDIN-2-ONE AND OXAZOLO[4, 5-B]PYRIDIN-2-ONE COMPOUNDS AND ANALOGS THEREOF AS CANCER THERAPEUTIC COMPOUNDS
  申请人：Niculescu-Duvaz Dan

  公开号：US20090325945A1

  公开（公告）日：2009-12-31

  The present invention pertains to certain imidazo[4,5-b]pyridin-2-one and oxazolo[4,5 b]pyridin-2-one compounds and analogs thereof, which, inter alia, inhibit RAF (e.g., B RAF) activity, inhibit cell proliferation, treat cancer, etc., and more particularly to compounds of the formulae: wherein: J is independently —O— or —NR N1− ; R N1 , if present, is independently —H or a substituent; R N2 is independently —H or a substituent; Y is independently —CH═ or —N═; Q is independently —(CH 2 ) j -M-(CH 2 ) k — wherein: j is independently 0, 1 or 2; k is independently 0, 1, or 2; j+k is 0, 1, or 2; M is independently O—, —S—, —NH—, —NMe-, or —CH 2 —; each of R P1 , R P2 , R P5 , and R P4 is independently —H or a substituent; and additionally R P1 and R P2 taken together may be CH═CH—CH═CH—; and additionally R P1 and R P5 taken together may be CH═CH—CH═CH—; L is independently: a linker group formed by a chain of 2, 3, or 4 linker moieties; each linker moiety is independently CH 2 —, —NR N —, —C(═X)—, or —S(═O) 2 —; either: exactly one linker moiety is —NR N —, or: exactly two linker moieties are —NR N —; either: exactly one linker moiety is —C(═X)—, and no linker moiety is —S(═O) 2 —, or: exactly one linker moiety is —S(═O) 2 —, and no linker moiety is —C(═X)—; no two adjacent linker moieties are —NR N —; X is independently ═O or ═S; each R N is independently —H or a substituent; A is independently: C 6-14 carboaryl, C 5-14 heteroaryl, C 3-12 carbocyclic, C 3-12 heterocyclic; and is independently unsubstituted or substituted; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, N-oxides, chemically protected forms, and prodrugs thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit RAF (e.g., B-RAF) activity, to inhibit receptor tyrosine kinase (RTK) activity, to inhibit cell proliferation, and in the treatment of diseases and conditions that are ameliorated by the inhibition of RAF, RTK, etc., proliferative conditions such as cancer (e.g., colorectal cancer, melanoma), etc.

  本发明涉及特定的咪唑并[4,5-b]吡啶-2-酮和噁唑并[4,5-b]吡啶-2-酮化合物及其类似物，其中，它们可以抑制RAF（例如B-RAF）活性，抑制细胞增殖，治疗癌症等。特别是本发明涉及以下式的化合物：其中：J独立地为—O—或—NRN1−；RN1（如果存在）独立地为—H或取代基；RN2独立地为—H或取代基；Y独立地为—CH═或—N═；Q独立地为—（CH2）j-M-（ ）k—，其中：j独立地为0、1或2；k独立地为0、1或2；j+k为0、1或2；M独立地为O—、—S—、—NH—、—NMe-或— —；RP1、RP2、RP5和RP4中的每一个独立地为—H或取代基；并且另外RP1和RP2一起可以是CH═CH—CH═CH—；并且另外RP1和RP5一起可以是CH═CH—CH═CH—；L独立地为：由2、3或4个连接基成的连接基团；每个连接基单元独立地为 —、—NRN—、—C（═X）—或—S（═O）2—；要么：恰好有一个连接基单元为—NRN—，或：恰好有两个连接基单元为—NRN—；要么：恰好有一个连接基单元为—C（═X）—，且没有连接基单元为—S（═O）2—，或：恰好有一个连接基单元为—S（═O）2—，且没有连接基单元为—C（═X）—；没有两个相邻的连接基单元为—NRN—；X独立地为═O或═S；每个RN独立地为—H或取代基；A独立地为：C6-14碳基芳基、C5-14杂环芳基、C3-12环烷基、C3-12杂环烷基；并且独立地未取代或取代；以及其药学上可接受的盐、溶剂化合物、酰胺、酯、醚、N-氧化物、化学保护形式和前药。本发明还涉及包含这样的化合物的药物组合物，以及这样的化合物和组合物的使用，无论是在体外还是在体内，来抑制RAF（例如B-RAF）活性，抑制受体酪氨酸激酶（RTK）活性，抑制细胞增殖，并治疗通过抑制RAF、RTK等而改善的疾病和情况，如癌症（例如结肠癌、黑色素瘤）等。
• Imidazo[4,5-B]Pyridin-2-One and Oxazolo[4,5-B]Pyridin-2-One Compounds and Analogs Thereof as Therapeutic Compounds
  申请人：Niculescu-Duvaz Dan

  公开号：US20070287838A1

  公开（公告）日：2007-12-13

  The present invention pertains to certain imidazo[4,5-b]pyridin-2-one and oxazolo[4,5-b]pyridin-2-one compounds and analogs thereof, which, inter alia, inhibit RAF (e.g., B-RAF) activity, inhibit cell proliferation, treat cancer, etc., and more particularly to compounds of the formula (I): wherein: J is independently —O— or —NR N1 —; R N1 , if present, is independently —H or a substituent; R N2 is independently —H or a substituent; Y is independently —CH═ or —N═; Q is independently —(CH 2 ) j -M-(CH 2 ) k — wherein: j is independently 0, 1 or 2; k is independently 0, 1, or 2; j+k is 0, 1, or 2; M is independently —O—, —S—, —NH—, —NMe—, or —CH 2 —; each of R P1 , R P2 , R P3 , and R P4 is independently —H or a substituent; and additionally R P1 and R P2 taken together may be —CH═CH—CH═CH—; L is independently: a linker group formed by a chain of 2, 3, or 4 linker moieties; each linker moiety is independently —CH 2 —, —NR N —, —C(═X)—, or —S(═O) 2 —; exactly one linker moiety is —NR N —, or: exactly two linker moieties are —NR N —; exactly one linker moiety is —C(═X)—, and no linker moiety is —S(═O) 2 —; or: exactly one linker moiety is —S(═O) 2 —, and no linker moiety is —C(═X)—; no two adjacent linker moieties are —NR N —; X is independently ═O or ═S; each R N is independently —H or a substituent; A is independently: C 6-14 carboaryl, C 5-14 heteroaryl, C 3-12 carbocyclic, C 3-12 heterocyclic; and is independently unsubstituted or substituted; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, N-oxides, chemically protected forms, and prodrugs thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit RAF (e.g., B-RAF) activity, to inhibit receptor tyrosine kinase (RTK) activity, to inhibit cell proliferation, and in the treatment of diseases and conditions that are ameliorated by the inhibition of RAF, RTK, etc., proliferative conditions such as cancer (e.g., colorectal cancer, melanoma), etc.

  本发明涉及某些咪唑并[4,5-b]吡啶-2-酮和噁唑并[4,5-b]吡啶-2-酮化合物及其类似物，其中包括抑制RAF（例如B-RAF）活性、抑制细胞增殖、治疗癌症等功能，更具体地，涉及式（I）的化合物：其中：J独立地是—O—或—NRN1—；RN1，如果存在，独立地是—H或取代基；RN2独立地是—H或取代基；Y独立地是—CH═或—N═；Q独立地是—（CH2）j-M-（ ）k—，其中：j独立地是0、1或2；k独立地是0、1或2；j+k为0、1或2；M独立地是—O—、—S—、—NH—、—NMe—或— —；RP1、RP2、RP3和RP4中的每一个独立地是—H或取代基；并且RP1和RP2一起可以是—CH═CH—CH═CH—；L独立地是：由2、3或4个连接基成的连接基团；每个连接基独立地是— —、—NRN—、—C（═X）—或—S（═O）2—；恰好一个连接基是—NRN—，或：恰好两个连接基是—NRN—；恰好一个连接基是—C（═X）—，且没有连接基是—S（═O）2—；或：恰好一个连接基是—S（═O）2—，且没有连接基是—C（═X）—；没有两个相邻的连接基是—NRN—；X独立地是═O或═S；每个RN独立地是—H或取代基；A独立地是：C6-14碳基芳基、C5-14杂环芳基、C3-12环烷基、C3-12杂环基；并且独立地是未取代或取代的；以及其药学上可接受的盐、溶剂化物、酰胺、酯、醚、N-氧化物、化学保护形式和前药。本发明还涉及包含这样的化合物的制药组合物，以及这样的化合物和组合物的使用，无论在体内还是体外，用于抑制RAF（例如B-RAF）活性、抑制受体酪氨酸激酶（RTK）活性、抑制细胞增殖，并用于治疗由于抑制RAF、RTK等而改善的疾病和病况，如增殖性疾病，如癌症（例如结肠癌、黑色素瘤）等。
• Heteroaryls and uses thereof
  申请人：Hirose Masaaki

  公开号：US20110003806A1

  公开（公告）日：2011-01-06

  This invention provides compounds of formula IA or IB: wherein R 1 , R 2 , G 1 and HY are as described in the specification. The compounds are inhibitors of PI3K and/or mTor and are thus useful for treating proliferative, inflammatory, or cardiovascular disorders.

  该发明提供了式IA或IB的化合物：其中R1、R2、G1和HY如规范中所述。这些化合物是PI3K和/或mTor的抑制剂，因此可用于治疗增殖性、炎症性或心血管疾病。