6-甲基-9H-嘌呤-8-醇 | 39209-57-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 中文名称: 6-甲基-9H-嘌呤-8-醇
• 中文别名: 6-甲基-7,9-二氢嘌呤-8-酮
• 英文名称: 6-methyl-7,9-dihydro-purin-8-one
• 英文别名: 6-Methyl-7,9-dihydro-purin-8-on；6-Methyl-9H-purin-8-ol；6-methyl-7,9-dihydropurin-8-one
• CAS: 39209-57-9
• 化学式: C₆H₆N₄O
• mdl: MFCD11035946
• 分子量: 150.14
• InChiKey: LNZMOLVWODRUSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  66.9
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为产物：
  描述：

  2-氯-6-甲基嘧啶-4,5-二胺 在 phosphonium iodide 、 氢碘酸 作用下， 生成 6-甲基-9H-嘌呤-8-醇
  参考文献：
  名称：

  Gabriel; Colman, Chemische Berichte, 1901, vol. 34, p. 1242

  摘要：

  DOI：

文献信息

• SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME
  申请人：BlinkBio, Inc.

  公开号：US20170202970A1

  公开（公告）日：2017-07-20

  Described herein are silicon based conjugates capable of delivering one or more payload moieties to a target cell or tissue. Contemplated conjugates may include a silicon-heteroatom core, one or more optional catalytic moieties, a targeting moiety that permits accumulation of the conjugate within a target cell or tissue, one or more payload moieties (e.g., a therapeutic agent or imaging agent), and two or more non-interfering moieties covalently bound to the silicon-heteroatom core.

  本文描述了基于硅的共轭物，能够将一个或多个有效载荷基团传递到靶细胞或组织。考虑到的共轭物可能包括一个硅-杂原子核心，一个或多个可选的催化基团，一个定位基团，允许共轭物在靶细胞或组织内积累，一个或多个有效载荷基团（例如，治疗剂或成像剂），以及与硅-杂原子核心共价结合的两个或更多个不干扰基团。
• WNT SIGNALING INHIBITOR
  申请人：KYOWA HAKKO KIRIN CO., LTD.

  公开号：US20160168125A1

  公开（公告）日：2016-06-16

  A Wnt signaling inhibitor which comprises, as an active ingredient, a fused-ring heterocyclic compound represented by the following formula (IA) or a pharmaceutically acceptable salt thereof, and the like are provided: (wherein, n 1A represents 0 or 1; n 2A and n 3A may be the same or different, and each represents 1 or 2; R OA represents optionally substituted aryl or the like; R 2A represents a hydrogen atom or the like; R 3A represents an optionally substituted aromatic heterocyclic group or the like; X 1A , X 2A , X 3A and X 4A each represent CH or the like; Y 1A represents CH 2 or the like; Y 2A represents N or the like; and L A represents CH 2 or the like).

  提供一种Wnt信号抑制剂，其包括以下式（IA）所表示的融合环杂环化合物作为活性成分或其药学上可接受的盐等：（其中，n1A表示0或1；n2A和n3A可以相同也可以不同，每个表示1或2；ROA表示可选择地取代的芳基或类似物；R2A表示氢原子或类似物；R3A表示可选择地取代的芳香杂环基或类似物；X1A、X2A、X3A和X4A各自表示CH或类似物；Y1A表示CH2或类似物；Y2A表示N或类似物；LA表示 或类似物）。
• 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。
• Wnt SIGNALING INHIBITOR
  申请人：Kyowa Hakko Kirin Co., Ltd.

  公开号：EP3028703A1

  公开（公告）日：2016-06-08

  A Wnt signaling inhibitor which comprises, as an active ingredient, a fused-ring heterocyclic compound represented by the following formula (IA) or a pharmaceutically acceptable salt thereof, and the like are provided: (wherein, n1A represents 0 or 1; n2A and n3A may be the same or different, and each represents 1 or 2; R0A represents optionally substituted aryl or the like; R2A represents a hydrogen atom or the like; R3A represents an optionally substituted aromatic heterocyclic group or the like; X1A, X2A, X3A and X4A each represent CH or the like; Y1A represents CH2 or the like; Y2A represents N or the like; and LA represents CH2 or the like) .

  提供了一种 Wnt 信号转导抑制剂，其活性成分包括下式（IA）代表的融合环杂环化合物或其药学上可接受的盐等： (其中，n1A 代表 0 或 1；n2A 和 n3A 可以相同或不同，且各自代表 1 或 2；R0A 代表任选取代的芳基或类似物；R2A 代表氢原子或类似物；R3A 代表任选取代的芳族杂环基团或类似物；X1A、X2A、X3A 和 X4A 各自代表 CH 或类似物；Y1A 代表 CH2 或类似物；Y2A 代表 N 或类似物；以及 LA 代表 或类似物）。
• AKT AND P70 S6 KINASE INHIBITORS
  申请人：Eli Lilly and Company

  公开号：EP2358710B1

  公开（公告）日：2012-08-15