4-iodo-6-methoxypyridin-3-ylamine | 227180-21-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-iodo-6-methoxypyridin-3-ylamine
• 英文别名: 5-amino-4-iodo-2-methoxypyridine；4-iodo-6-methoxypyridin-3-amine
• CAS: 227180-21-4
• 化学式: C₆H₇IN₂O
• 分子量: 250.039
• InChiKey: CZEKHMLILUQRPV-UHFFFAOYSA-N

物化性质

• 沸点：
  334.9±42.0 °C(Predicted)
• 密度：
  1.908±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  48.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-iodo-6-methoxypyridin-3-ylamine 在 bis(triphenylphosphine)palladium(II)-chloride copper(l) iodide 、 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 5-甲基-6-氮杂吲哚
  参考文献：
  名称：

  Synthesis of New Melatoninergic Ligands Including Azaindole Moiety

  摘要：

  DOI：

  10.3987/com-98-s(h)111
• 作为产物：
  描述：

  5-氨基-2-甲氧基吡啶 在 硫酸 、 叔丁基锂 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 正戊烷 为溶剂， 反应 13.0h， 生成 4-iodo-6-methoxypyridin-3-ylamine
  参考文献：
  名称：

  NOVEL AROMATIC COMPOUND AND USE THEREOF

  摘要：

  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。

  公开号：

  US20160207883A1

文献信息

• [EN] CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS<br/>[FR] COMPOSÉS MACROCYCLIQUES ENTIÈREMENT SYNTHÉTIQUES, À CONFORMATION CONTRAINTE
  申请人：POLYPHOR AG

  公开号：WO2011015241A1

  公开（公告）日：2011-02-10

  Conformationally restricted, spatially defined 12-30 membered macrocyclic ring systems of type (I) are constituted by three distinct building blocks: an aromatic template a, a conformation modulator b and a spacer moiety c as detailed in the description and the claims. Macrocycles of type (I) are readily manufactured by parallel synthesis or combinatorial chemistry. They are designed to interact with specific biological targets. In particular, they show agonistic or antagonistic activity on the motilin receptor (MR receptor), on the serotonin receptor of subtype 5-HT2B (5-HT2B receptor), and on the prostaglandin F2 • receptor (FP receptor). They are thus potentially useful for the treatment of hypomotility disorders of the gastrointestinal tract such as diabetic gastroparesis and constipation type irritable bowl syndrome; of CNS related diseases like migraine, schizophrenia, psychosis or depression; of ocular hypertension such as associated with glaucoma and preterm labour.

  构象受限、空间定义的12-30元大环环系统(I型)由三个不同的构建模块组成：芳香模板a、构象调节剂b和间隔基团c，详细描述在说明书和专利要求中。I型大环可通过并行合成或组合化学方法轻松制备。它们设计用于与特定生物靶点相互作用。特别是，它们在胃动素受体(MR受体)、5-羟色胺受体亚型5-HT2B(5-HT2B受体)和前列腺素F2•受体(FP受体)上显示激动或拮抗活性。因此，它们潜在用于治疗胃肠道低动力障碍，如糖尿病性胃轻瘫和便秘型肠易激综合征；中枢神经系统相关疾病，如偏头痛、精神分裂症、精神病或抑郁症；眼压增高，如青光眼和早产。
• CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS
  申请人：Obrecht Daniel

  公开号：US20120270881A1

  公开（公告）日：2012-10-25

  Conformationally restricted, spatially defined 12-30 membered macrocyclic ring systems of formulae Ia and Ib are constituted by three distinct molecular parts: Template A, conformation Modulator B and Bridge C. These macrocycles Ia and Ib are readily manufactured by parallel synthesis or combinatorial chemistry in solution or on solid phase. They are designed to interact with a variety of specific biological target classes, examples being the agonistic or antagonistic activity on G-protein coupled receptors (GPCRs), ion channels and signal transduction pathways. In particular, these macrocycles act as antagonists of the motilin receptor, the FP receptor and the purinergic receptors P2Y 1 , as modulators of the serotonin receptor of subtype 5-HT 2B , as blockers of the voltage-gated potassium channel K v 1.3 and as inhibitors of the β-catenin-dependent “canonical” Wnt pathway. Thus they are showing great potential as medicaments for a variety of diseases.

  具有结构限制的、空间定义的12-30环的大环系统Ia和Ib由三个不同的分子部分构成：模板A、构象调节剂B和桥C。这些大环Ia和Ib可以通过并行合成或溶液中或固相上的组合化学来轻松制备。它们被设计用于与各种特定的生物靶标类相互作用，例如对G蛋白偶联受体（GPCRs）、离子通道和信号转导途径的激动或拮抗活性。特别地，这些大环作为莫蒂林受体的拮抗剂、FP受体和嘌呤受体P2Y1的调节剂、5-HT2B亚型的5-羟色胺受体的调节剂、电压门控钾通道Kv1.3的阻断剂以及β-连环蛋白依赖的“经典”Wnt途径的抑制剂。因此，它们显示出作为各种疾病药物的巨大潜力。
• 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。

表征谱图