2,2-dimethyl-N-<4-iodo-6-methoxy-3-pyridinyl>propanamide | 227180-20-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,2-dimethyl-N-<4-iodo-6-methoxy-3-pyridinyl>propanamide
• 英文别名: N-(4-iodo-6-methoxypyridin-3-yl)-2,2-dimethylpropanamide；N-(4-iodo-6-methoxypyridin-3-yl)pivalamide
• CAS: 227180-20-3
• 化学式: C₁₁H₁₅IN₂O₂
• 分子量: 334.157
• InChiKey: OJMNZOTXPXTTHY-UHFFFAOYSA-N

物化性质

• 沸点：
  415.7±45.0 °C(Predicted)
• 密度：
  1.580±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 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：

  2,2-dimethyl-N-<4-iodo-6-methoxy-3-pyridinyl>propanamide 在 硫酸 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 5.0h， 生成 4-iodo-6-methoxypyridin-3-ylamine
  参考文献：
  名称：

  AZA-INDOLES AND RELATED COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY

  摘要：

  本发明提供了一种具有以下结构的化合物：其中n为1或2；m为0或1；p为0、1或2；R1为芳基、杂环芳基或烷基；R2为C1-6烃基、烷酰基或羟基烷基；R3为芳基、杂环芳基或烷基；R4为H、OH、—O—(C1-6烷基)、—NH—(C1-6烷基)或氧化物；R5为H、卤素、C1-6烷基、O—(C1-6烷基)、芳基、杂环芳基、—C(═O)(C1-6烷基)、取代或未取代的噁唑啉-2-基；X为O、NH、—C(═O)—或—N═CH—；每个L独立地为烷基和羰基。还公开了与之相关的治疗方法、组合物和药物。

  公开号：

  US20090325970A1
• 作为产物：
  描述：

  2,2-dimethyl-N-<5-(2-methoxypyridinyl)>propanamide 在 碘 、 叔丁基锂 作用下， 以 四氢呋喃 、 正戊烷 为溶剂， 生成 2,2-dimethyl-N-<4-iodo-6-methoxy-3-pyridinyl>propanamide
  参考文献：
  名称：

  AZA-INDOLES AND RELATED COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY

  摘要：

  本发明提供了一种具有以下结构的化合物：其中n为1或2；m为0或1；p为0、1或2；R1为芳基、杂环芳基或烷基；R2为C1-6烃基、烷酰基或羟基烷基；R3为芳基、杂环芳基或烷基；R4为H、OH、—O—(C1-6烷基)、—NH—(C1-6烷基)或氧化物；R5为H、卤素、C1-6烷基、O—(C1-6烷基)、芳基、杂环芳基、—C(═O)(C1-6烷基)、取代或未取代的噁唑啉-2-基；X为O、NH、—C(═O)—或—N═CH—；每个L独立地为烷基和羰基。还公开了与之相关的治疗方法、组合物和药物。

  公开号：

  US20090325970A1

文献信息

• NOVEL AROMATIC COMPOUND AND USE THEREOF
  申请人：Kyoto Pharmaceutical Industries, Ltd.

  公开号：US20160207883A1

  公开（公告）日：2016-07-21

  Provided is a compound showing a bone formation promoting action (and/or bone resorption suppressive action). A compound of the formula (I) or a pharmacologically acceptable salt: [wherein each substituent is as defined in the DESCRIPTION], has low toxicity, shows good pharmacokinetics, has an action to promote bone formation, and is useful for the prophylaxis or To treatment of metabolic bone diseases (osteoporosis, fibrous osteitis (hyperparathyroidism), osteomalacia, Paget's disease that influences the systemic bone metabolism parameter etc.) associated with a decrease in the bone formation ability as compared to the bone resorption capacity.

  提供的是一种显示促进骨形成作用（和/或抑制骨吸收作用）的化合物。具有以下结构的化合物（I）或药理学上可接受的盐：[其中每个取代基如描述中所定义]，具有低毒性，显示良好的药代动力学特性，具有促进骨形成的作用，并且对于预防或治疗代谢性骨疾病（骨质疏松症、纤维性骨炎（甲状旁腺功能亢进症）、软骨软化症、帕吉特病等影响全身骨代谢参数的疾病）非常有用，这些疾病与骨形成能力下降相比骨吸收能力。
• AZA-INDOLES AND RELATED COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY
  申请人：Yuan Haiqing

  公开号：US20090325970A1

  公开（公告）日：2009-12-31

  The present invention provides compounds are disclosed herein having the formula: Wherein n is 1 or 2; m is 0 or 1; p is 0, 1 or 2; R 1 is aryl, heteroaryl or alkyl; R 2 is C 1-6 hydrocarbyl, alkylacyl or hydroxyalkyl; R 3 is aryl, heteroaryl, or alkyl; R 4 is H, OH, —O—(C 1-6 alkyl), —NH—(C 1-6 alkyl), or oxide; R 5 is H, halogen, C 1-6 alkyl, O—(C 1-6 alkyl), aryl, heteroaryl, —C(═O)(C 1-6 alkyl), substituted or un-substituted oxazolin-2-yl; X═O, NH, —C(═O)— or —N═CH—; and Each L is independently alkylene and carbonyl. Therapeutic methods, compositions, and medicaments related thereto are also disclosed.

  本发明提供了一种具有以下结构的化合物：其中n为1或2；m为0或1；p为0、1或2；R1为芳基、杂环芳基或烷基；R2为C1-6烃基、烷酰基或羟基烷基；R3为芳基、杂环芳基或烷基；R4为H、OH、—O—(C1-6烷基)、—NH—(C1-6烷基)或氧化物；R5为H、卤素、C1-6烷基、O—(C1-6烷基)、芳基、杂环芳基、—C(═O)(C1-6烷基)、取代或未取代的噁唑啉-2-基；X为O、NH、—C(═O)—或—N═CH—；每个L独立地为烷基和羰基。还公开了与之相关的治疗方法、组合物和药物。
• AZA-indoles and related compounds having sphingosine-1-phosphate (S1P) receptor antagonist biological activity
  申请人：Allergan, Inc.

  公开号：US08263767B2

  公开（公告）日：2012-09-11

  The present invention provides compounds are disclosed herein having the formula: Wherein n is 1 or 2; m is 0 or 1; R1 is aryl, heteroaryl or alkyl; R2 is C1-6 hydrocarbyl, alkylacyl or hydroxyalkyl; R3 is aryl, heteroaryl, or alkyl; R4 is H, OH, —O—(C1-6 alkyl), —NH—(C1-6 alkyl), or oxide; R5 is H, halogen, C1-6 alkyl, O—(C1-6 alkyl), aryl, heteroaryl, —C(═O)(C1-6 alkyl), substituted or un-substituted oxazolin-2-yl; X=O, NH, —C(═O)— or —N═CH—; and Each L is independently alkylene and carbonyl.

  本发明提供了以下式子的化合物：其中n为1或2；m为0或1；R1为芳基、杂环芳基或烷基；R2为C1-6烃基、烷基酰基或羟基烷基；R3为芳基、杂环芳基或烷基；R4为H、OH、—O—(C1-6烷基)、—NH—(C1-6烷基)或氧化物；R5为H、卤素、C1-6烷基、O—(C1-6烷基)、芳基、杂环芳基、—C(═O)(C1-6烷基)、取代或未取代的噁唑啉-2-基；X=O、NH、—C(═O)—或—N═CH—；每个L独立地为烷基和羰基。
• Aza-indoles and related compounds having sphingosine-1-phosphate (S1P) receptor antagonist biological activity
  申请人：Allergan, Inc.

  公开号：US08012992B2

  公开（公告）日：2011-09-06

  The present invention provides compounds are disclosed herein having the formula: Wherein n is 1 or 2; m is 0 or 1; p is 0, 1 or 2; R1 is aryl, heteroaryl or alkyl; R2 is C1-6 hydrocarbyl, alkylacyl or hydroxyalkyl; R3 is aryl, heteroaryl, or alkyl; R4 is H, OH, —O—(C1-6 alkyl), —NH—(C1-6 alkyl), or oxide; R5 is H, halogen, C1-6 alkyl, O—(C1-6 alkyl), aryl, heteroaryl, —C(═O)(C1-6 alkyl), substituted or un-substituted oxazolin-2-yl; X═O, NH, —C(═O)— or —N═CH—; and Each L is independently alkylene and carbonyl. Therapeutic methods, compositions, and medicaments related thereto are also disclosed.

  本发明提供了具有以下公式的化合物：其中n为1或2；m为0或1；p为0、1或2；R1为芳基、杂环芳基或烷基；R2为C1-6烃基、烷基酰基或羟基烷基；R3为芳基、杂环芳基或烷基；R4为H、OH、-O-(C1-6烷基)、-NH-(C1-6烷基)或氧化物；R5为H、卤素、C1-6烷基、O-(C1-6烷基)、芳基、杂环芳基、-C(═O)(C1-6烷基)、取代或未取代的噁唑啉-2-基；X═O、NH、-C(═O)-或-N═CH-；每个L独立地为烷基和羰基。同时还公开了与之相关的治疗方法、组合物和药物。
• Aromatic compound and use thereof
  申请人：Kyoto Pharmaceutical Industries, Ltd.

  公开号：US10059663B2

  公开（公告）日：2018-08-28

  Provided is a compound showing a bone formation promoting action (and/or bone resorption suppressive action). A compound of the formula (I) or a pharmacologically acceptable salt: [wherein each substituent is as defined in the DESCRIPTION], has low toxicity, shows good pharmacokinetics, has an action to promote bone formation, and is useful for the prophylaxis or treatment of metabolic bone diseases (osteoporosis, fibrous osteitis (hyperparathyroidism), osteomalacia, Paget's disease that influences the systemic bone metabolism parameter etc.) associated with a decrease in the bone formation ability as compared to the bone resorption capacity.

  本文提供了一种具有促进骨形成作用（和/或抑制骨吸收作用）的化合物。式（I）的化合物或药理学上可接受的盐： [其中各取代基如 DESCRIPTION 所定义]，毒性低，药代动力学良好，具有促进骨形成的作用，可用于预防或治疗与骨形成能力低于骨吸收能力相关的代谢性骨病（骨质疏松症、纤维性骨炎（甲状旁腺功能亢进）、骨软化症、影响全身骨代谢参数的 Paget 病等）。

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