3-碘-5-甲氧基-1H-吡咯[2,3-B]吡啶 | 913983-33-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 中文名称: 3-碘-5-甲氧基-1H-吡咯[2,3-B]吡啶
• 英文名称: 3-iodo-5-methoxy-1H-pyrrolo[2,3-b]pyridine
• CAS: 913983-33-2
• 化学式: C₈H₇IN₂O
• 分子量: 274.061
• InChiKey: FKIMIWSUCKEXLD-UHFFFAOYSA-N

物化性质

• 熔点：
  172-173°C
• 密度：
  1.941±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  37.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933990090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Iodo-5-methoxy-1h-pyrrolo[2,3-b]pyridine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 3-Iodo-5-methoxy-1h-pyrrolo[2,3-b]pyridine
CAS number: 913983-33-2

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels, refrigerated.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C8H7IN2O
Molecular weight: 274.1

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen Iodide.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-碘-5-甲氧基-1H-吡咯[2,3-B]吡啶 在 三乙基硅烷 、 四丁基氟化铵 、 异丙基氯化镁 、 一氯化碘 、 sodium hydride 、 三氟乙酸 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 乙腈 、 mineral oil 为溶剂， 反应 4.34h， 生成 (5-fluoro-2-methoxypyridin-3-ylmethyl)[5-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-yl]amine
  参考文献：
  名称：

  Compounds and methods for kinase modulation, and indications therefor

  摘要：

  描述了化合物及其盐，制剂，共轭物，衍生物，形式和用途。在某些方面和实施方式中，所述的化合物或其盐，制剂，共轭物，衍生物或形式对Fms蛋白激酶，或对Fms和Kit蛋白激酶，或对Fms和Flt-3蛋白激酶具有活性。还描述了使用方法，用于治疗与Fms蛋白激酶，Kit蛋白激酶或Flt-3蛋白激酶活性相关的疾病和状况，包括类风湿性关节炎，骨关节炎，多发性硬化症，阿尔茨海默病，帕金森病，肾小球肾炎，间质性肾炎，狼疮性肾炎，小管坏死，糖尿病肾病，肾肥大，急性髓性白血病，黑色素瘤，多发性骨髓瘤，转移性乳腺癌，前列腺癌，胰腺癌，神经纤维瘤病，脑转移和胃肠间质瘤。

  公开号：

  US09096593B2
• 作为产物：
  描述：

  5-甲氧基-7-氮杂吲哚 在 碘 、 potassium iodide 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以81%的产率得到3-碘-5-甲氧基-1H-吡咯[2,3-B]吡啶
  参考文献：
  名称：

  [EN] WDR5 INHIBITORS AND MODULATORS
  [FR] INHIBITEURS ET MODULATEURS DE WDR5

  摘要：

  异喹啉酮化合物及其衍生物可以抑制WDR5以及相关的蛋白质-蛋白质相互作用，这些化合物及其药物组合物可用于治疗受试者中的疾病和状况，如癌细胞增殖。

  公开号：

  WO2021092525A1

文献信息

• [EN] WDR5 INHIBITORS AND MODULATORS<br/>[FR] INHIBITEURS ET MODULATEURS DE WDR5
  申请人：UNIV VANDERBILT

  公开号：WO2021092525A1

  公开（公告）日：2021-05-14

  Isoquinolmone compounds and derivatives inhibit WDR5 and associated protein-protein interactions, and the compounds and their pharmaceutical compositions are useful for treating disorders and conditions in a subject, such as cancer cell proliferation.

  异喹啉酮化合物及其衍生物可以抑制WDR5以及相关的蛋白质-蛋白质相互作用，这些化合物及其药物组合物可用于治疗受试者中的疾病和状况，如癌细胞增殖。
• Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation
  申请人：Khan Afzal

  公开号：US20070072896A1

  公开（公告）日：2007-03-29

  The present invention provides novel compounds of formula I and their use in the inhibition of c-Jun N-terminal kinases. The present invention further provides the use of these compounds in medicine, in particular in the prevention and/or treatment of neurodegenerative disorders related to apoptosis and/or inflammation.

  本发明提供了式I的新化合物以及它们在抑制c-Jun N末端激酶中的应用。本发明进一步提供了这些化合物在医学中的应用，特别是在预防和/或治疗与凋亡和/或炎症相关的神经退行性疾病方面的应用。
• INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS RELATING TO APOPTOSIS AND/OR INFLAMMATION
  申请人：KHAN Afzal

  公开号：US20100035878A1

  公开（公告）日：2010-02-11

  The present invention provides novel compounds of formula I and their use in the inhibition of c-Jun N-terminal kinases. The present invention further provides the use of these compounds in medicine, in particular in the prevention and/or treatment of neurodegenerative disorders related to apoptosis and/or inflammation.

  本发明提供了式I的新化合物及其在抑制c-Jun N末端激酶中的应用。本发明还提供了这些化合物在医学上的应用，特别是在预防和/或治疗与凋亡和/或炎症有关的神经退行性疾病方面的应用。
• COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR
  申请人：Zhang Jiazhong

  公开号：US20110112127A1

  公开（公告）日：2011-05-12

  Compounds and salts thereof, formulations thereof, conjugates thereof, derivatives thereof, forms thereof and uses thereof are described. In certain aspects and embodiments, the described compounds or salts thereof, formulations thereof, conjugates thereof, derivatives thereof, or forms thereof are active on Fms protein kinase, or on Fms and Kit protein kinase, or on Fms and Flt-3 protein kinase. Also described are methods of use thereof to treat diseases and conditions, including diseases and conditions associated with activity of Fms protein kinase, Kit protein kinase, or Flt-3 protein kinase including rheumatoid arthritis, osteoarthritis, multiple sclerosis, Alzheimer's disease, Parkinson's disease, glomerulonephritis, interstitial nephritis, Lupus nephritis, tubular necrosis, diabetic nephropathy, renal hypertrophy, acute myeloid leukemia, melanoma, multiple myeloma, metastatic breast cancer, prostate cancer, pancreatic cancer, neurofibromatosis, brain metastases, and gastrointestinal stromal tumors.

  本文描述了化合物及其盐、制剂、结合物、衍生物、形式和用途。在某些方面和实施方式中，所述化合物或其盐、制剂、结合物、衍生物或形式对Fms蛋白激酶、或对Fms和Kit蛋白激酶、或对Fms和Flt-3蛋白激酶具有活性。还描述了使用它们治疗与Fms蛋白激酶、Kit蛋白激酶或Flt-3蛋白激酶活性相关的疾病和病况的方法，包括类风湿性关节炎、骨关节炎、多发性硬化症、阿尔茨海默病、帕金森病、肾小球肾炎、间质性肾炎、红斑狼疮性肾炎、肾小管坏死、糖尿病肾病、肾肥大、急性髓系白血病、黑色素瘤、多发性骨髓瘤、转移性乳腺癌、前列腺癌、胰腺癌、神经纤维瘤病、脑转移和胃肠道间质肿瘤。
• JNK inhibitors
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP1749829B1

  公开（公告）日：2010-11-03