tert-butyl (4-((2,3-diaminopyridin-4-yl)oxy)naphthalen-1-yl)carbamate | 884339-83-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tert-butyl (4-((2,3-diaminopyridin-4-yl)oxy)naphthalen-1-yl)carbamate
• 英文别名: Tert-butyl 4-(2,3-diaminopyridin-4-yloxy)naphthalen-1-ylcarbamate；tert-butyl N-[4-(2,3-diaminopyridin-4-yl)oxynaphthalen-1-yl]carbamate
• CAS: 884339-83-7
• 化学式: C₂₀H₂₂N₄O₃
• 分子量: 366.42
• InChiKey: ZMWXDVDSRJIRSI-UHFFFAOYSA-N

物化性质

• 沸点：
  522.4±50.0 °C(Predicted)
• 密度：
  1.304±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  113
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl (4-((2,3-diaminopyridin-4-yl)oxy)naphthalen-1-yl)carbamate 在 吡啶 、 sodium hydride 、 三氟乙酸 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 22.67h， 生成 ethyl N-[2-amino-4-(4-aminonaphthalen-1-yl)oxypyridin-3-yl]-N-methylcarbamate
  参考文献：
  名称：

  [EN] 1-(5-TERT-BUTYL-2-PHENYL-2H-PYRAZOL-3-YL)-3-[2-FLUORO-4-(1-METHYL-2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-7-YLOXY)-PHENYL]-UREA AND RELATED COMPOUNDS AND THEIR USE IN THERAPY
  [FR] 1-(5-TERT-BUTYL-2-PHÉNYL-2H-PYRAZOL-3-YL)-3-[2-FLUORO-4-(1-MÉTHYL-2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-7-YLOXY)-PHÉNYL]-URÉE ET COMPOSÉS ASSOCIÉS, ET LEUR UTILISATION DANS DES TRAITEMENTS

  摘要：

  公开号：

  WO2011092469A8
• 作为产物：
  描述：

  (4-羟基-1-萘)-氨基甲酸叔丁酯 在 palladium on activated charcoal 、 potassium tert-butylate 、 氢气 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 20.0~80.0 ℃ 、100.0 kPa 条件下， 反应 23.5h， 生成 tert-butyl (4-((2,3-diaminopyridin-4-yl)oxy)naphthalen-1-yl)carbamate
  参考文献：
  名称：

  [EN] POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES
  [FR] DÉRIVÉS D'URÉE POLYAROMATIQUES ET LEUR UTILISATION DANS LE TRAITEMENT DE MALADIES MUSCULAIRES

  摘要：

  当前的发明提供尿素衍生物，特别是具有核心结构杂环基-NH-CO-NH-芳基-O-杂环基的化合物，用于治疗、改善、延缓、治愈和/或预防与肌肉细胞和/或卫星细胞相关的疾病或症状，如杜兴氏肌肉萎缩症、贝克氏肌肉萎缩症、虚弱或肌肉萎缩症。

  公开号：

  WO2021013712A1

文献信息

• [EN] PYRIDO[2,3-B]PYRAZINE-8-SUBSTITUTED COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS PYRIDO[2,3-B]PYRAZINE SUBSTITUÉS EN POSITION 8 ET LEUR UTILISATION
  申请人：CANCER REC TECH LTD

  公开号：WO2009077766A1

  公开（公告）日：2009-06-25

  The present invention pertains generally to the field of therapeutic compounds for treating proliferative disorders, cancer, etc., and more specifically to certain pyrido[2,3-b]pyrazin-8-substituted compounds, as described herein, which, inter alia, inhibit RAF (e.g., B RAF) activity. 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., BRAF) activity, to inhibit receptor tyrosine kinase (RTK) activity, to inhibit cell proliferation, and in the treatment of diseases and disorders that are ameliorated by the inhibition of RAF, RTK, etc., proliferative disorders such as cancer (e.g., colorectal cancer, melanoma), etc.

  本发明一般涉及用于治疗增殖性疾病、癌症等的治疗化合物领域，更具体地涉及到本文所述的某些吡啶并[2,3-b]吡嗪-8-取代化合物，该化合物在某些情况下抑制RAF（例如BRAF）活性。本发明还涉及包含这些化合物的药物组合物，以及利用这些化合物和组合物在体内外抑制RAF（例如BRAF）活性、抑制受体酪氨酸激酶（RTK）活性、抑制细胞增殖，并用于治疗通过抑制RAF、RTK等而得到改善的疾病和疾患，如癌症（例如结直肠癌、黑色素瘤）等。
• [EN] PROCESS FOR THE PREPARATION OF 8-(4-AMINOPHENOXY)-4H-PYRIDO[2,3-B]PYRAZIN-3-ONE DERIVATIVES<br/>[FR] PROCÉDÉ DE PRÉPARATION DE DÉRIVÉS DE 8-(4-AMINOPHÉNOXY)- 4H-PYRIDO[2,3-B]PYRAZIN-3-ONE
  申请人：CANCER REC TECH LTD

  公开号：WO2015075482A1

  公开（公告）日：2015-05-28

  The present invention pertains generally to the field of organic chemical synthesis, and in particular to certain methods for the synthesis of 8-(4-aminophenyoxy)- 4H-pyrido[2,3-b]pyrazin-3-one and related compounds (denoted herein as (3)) from 4-(4-aminophenyoxy)pyridine-2,3-diamine and related compounds (denoted herein as (1)), by reaction with glyoxylic acid (denoted herein as (2)). The compounds (3) are useful in the synthesis of known anti-cancer agents, such as 1-(5-tert-butyl-2-(4-methyl- phenyl)-pyrazol-3-yl)-3-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea.

  本发明一般涉及有机化学合成领域，特别是涉及从4-(4-氨基苯氧基)吡啶-2,3-二胺及相关化合物（以下简称为（1））与甘氧酸（以下简称为（2））反应，合成8-(4-氨基苯氧基)-4H-吡啶并[2,3-b]吡嗪-3-酮及相关化合物（以下简称为（3））的某些方法。这些化合物（3）在合成已知的抗癌药物中起到作用，例如1-(5-叔丁基-2-(4-甲基苯基)-吡唑-3-基)-3-[2-氟-4-[(3-氧代-4H-吡啶并[2,3-b]吡嗪-8-基)氧基]苯基]脲。
• 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-（CH2）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—CH2—；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—CH2—、—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。
• 1-(5-TERT-BUTYL-2-PHENYL-2H-PYRAZOL-3-YL)-3-[2-FLUORO-4-(1-METHYL-2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-7-YLOXY)-PHENYL]-UREA AND RELATED COMPOUNDS AND THEIR USE IN THERAPY
  申请人：Springer Caroline

  公开号：US20120283288A1

  公开（公告）日：2012-11-08

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain compounds of the following formula (I) (for convenience, collectively referred to herein as “IP compounds”), which, inter alia, are useful in the treatment of cancer, e.g., cancer characterised by (e.g., driven by) mutant RAS (“mutant RAS cancer”). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions in the treatment of cancer, e.g., mutant RAS cancer.

  本发明一般涉及治疗化合物领域，更具体地涉及以下式(I)的某些化合物（为方便起见，本文中统称为“IP化合物”），这些化合物可用于治疗癌症，例如由突变RAS（“突变RAS癌症”）特征化的癌症。本发明还涉及包含这种化合物的药物组合物，以及使用这种化合物和组合物治疗癌症，例如突变RAS癌症。
• Pyrido[2,3-b]pyrazin-8-substituted compounds and their use
  申请人：Institute of Cancer Research: Royal Cancer Hospital (The)

  公开号：US08198279B2

  公开（公告）日：2012-06-12

  The present invention pertains generally to the field of therapeutic compounds for treating proliferative disorders, cancer, etc., and more specifically to certain pyrido[2,3-b]pyrazin-8-substituted compounds, as described herein, which, inter alia, inhibit RAF (e.g., B—RAF) activity. 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., BRAF) activity, to inhibit receptor tyrosine kinase (RTK) activity, to inhibit cell proliferation, and in the treatment of diseases and disorders that are ameliorated by the inhibition of RAF, RTK, etc., proliferative disorders such as cancer (e.g., colorectal cancer, melanoma), etc.

  本发明一般涉及治疗增生性疾病、癌症等治疗化合物领域，更具体地涉及某些在此处描述的吡啶并[2,3-b]吡嗪-8-取代化合物，其抑制 RAF (例如 B-RAF) 活性等。本发明还涉及包含这种化合物的制药组合物，以及在体内外使用这种化合物和组合物来抑制 RAF (例如 BRAF) 活性、抑制受体酪氨酸激酶 (RTK) 活性、抑制细胞增殖，以及治疗通过抑制 RAF、RTK等而改善的疾病和紊乱，如增生性疾病（例如结肠直肠癌、黑色素瘤）等。