4-氯-7H-吡咯并[2,3-d]嘧啶-6-甲酸乙酯 | 187725-00-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 中文名称: 4-氯-7H-吡咯并[2,3-d]嘧啶-6-甲酸乙酯
• 中文别名: 4-氯-1H-吡咯并[2,3-d]嘧啶-6-羧酸乙酯；4-氯-7H-吡咯[2,3-d]嘧啶-6-甲酸乙酯；乙基4-氯-1H-吡咯并[2,3-D]嘧啶-6-甲酸酯；4-氯-7H-吡咯并[2,3-D]嘧啶-6-甲酸乙酯
• 英文名称: ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
• CAS: 187725-00-4
• 化学式: C₉H₈ClN₃O₂
• 分子量: 225.634
• InChiKey: BMVGJDTURCUCNP-UHFFFAOYSA-N

物化性质

• 沸点：
  356.1±52.0 °C(Predicted)
• 密度：
  1.53±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Ethyl 4-chloro-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylate
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: Ethyl 4-chloro-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylate
CAS number: 187725-00-4

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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.
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: C9H8ClN3O2
Molecular weight: 225.6

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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 chloride.

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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：

  4-氯-7H-吡咯并[2,3-d]嘧啶-6-甲酸乙酯 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以86%的产率得到ethyl 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
  参考文献：
  名称：

  [EN] SUBSTITUTED PYRAZOLO-PYRIDINAMINES
  [FR] PYRAZOLO-PYRIDINAMINES SUBSTITUÉES

  摘要：

  本发明涉及通式I所述和定义的取代吡唑吡啶化合物，涉及制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包含所述化合物的药物组合物和复合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是治疗或预防过度增殖和/或血管生成紊乱的疾病，作为唯一药剂或与其他活性成分组合使用。

  公开号：

  WO2015004024A1
• 作为产物：
  描述：

  4-hydroxy-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid ethyl ester 以 甲苯 、 三氯氧磷 为溶剂， 生成 4-氯-7H-吡咯并[2,3-d]嘧啶-6-甲酸乙酯
  参考文献：
  名称：

  Pyrrolopyrimidines and processes for the preparation thereof

  摘要：

  描述了式I的7H-吡咯并[2,3-d]嘧啶衍生物##STR1##，其中符号如权利要求1所定义。这些化合物抑制酪氨酸蛋白激酶，可用于治疗高增殖性疾病，例如肿瘤疾病。

  公开号：

  US06140332A1

文献信息

• [EN] SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES COMPOUNDS AS RET KINASE INHIBITORS<br/>[FR] COMPOSÉS DE PYRROLO[2,3-D]PYRIMIDINES SUBSTITUÉS UTILISÉS EN TANT QU'INHIBITEURS DE LA KINASE RET
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2019143977A1

  公开（公告）日：2019-07-25

  Provided herein are compounds of the Formula I: [INSERT FORMULA I] and tautomers, stereoisomers and pharmaceutically acceptable salts and solvates thereof, wherein R1, R2 and Ry have the meanings given in the specification, which are inhibitors of RET kinase and are useful in the treatment and prevention of diseases which can be treated with a RET kinase inhibitor, including RET-associated diseases and disorders.

  本文提供了Formula I的化合物：[插入Formula I]及其互变异构体、立体异构体和药学上可接受的盐和溶剂化合物，其中R1、R2和Ry具有规范中给定的含义，它们是RET激酶的抑制剂，可用于治疗和预防可以用RET激酶抑制剂治疗的疾病，包括与RET相关的疾病和紊乱。
• [EN] SUBSTITUTED PYRROLOPYRIMIDINYLAMINO-BENZOTHIAZOLONES AS MKNK KINASE INHIBITORS<br/>[FR] PYRROLOPYRIMIDINYLAMINOBENZOTHIAZOLONES SUBSTITUÉES COMME INHIBITEURS DE MKNK KINASE
  申请人：BAYER PHARMA AG

  公开号：WO2014044691A1

  公开（公告）日：2014-03-27

  The present invention relates to substituted pyrrolopyrimidinylamino-benzothiazolone compounds of general formula I as described and defined herein, to methods of preparing said compounds, to intermediate compounds useful for preparing said compounds, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease, in particular of a hyper-proliferative and/or angiogenesis disorder, as a sole agent or in combination with other active ingredients.

  本发明涉及一般式I所述的取代吡咯吡嘧啶基氨基苯并噻唑酮化合物，以及制备该化合物的方法，用于制备该化合物的有用中间体化合物，包含该化合物的药物组合物和药物组合物，以及利用该化合物制造用于治疗或预防疾病的药物组合物，特别是用作唯一药剂或与其他活性成分组合使用，用于治疗或预防过度增殖和/或血管生成紊乱的疾病。
• [EN] SUBSTITUTED INDAZOL-PYRROLOPYRIMIDINES USEFUL IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES<br/>[FR] INDAZOL-PYRROLOPYRIMIDINES SUBSTITUÉES UTILES DANS LE TRAITEMENT DE MALADIES HYPERPROLIFÉRATIVES
  申请人：BAYER PHARMA AG

  公开号：WO2014048869A1

  公开（公告）日：2014-04-03

  The present invention relates to substituted indazol-pyrrolopyrimidine compounds of general formula (I):in which R1a, R1b, R1c, R1d, R2a and R2b are as described and defined herein, to methods of preparing said compounds, to intermediate compounds useful for preparing said compounds, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease, in particular of a hyper-proliferative and/or angiogenesis disorder, as a sole agent or in combination with other active ingredients.

  本发明涉及通式（I）的取代吲唑-吡咯嘧啶化合物，其中R1a、R1b、R1c、R1d、R2a和R2b如本文所述并定义，以及制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包含所述化合物的药物组合物和组合物，以及用于制造用于治疗或预防疾病的药物组合物的所述化合物的用途，特别是用作唯一药剂或与其他活性成分组合使用，治疗或预防高增殖和/或血管生成障碍的疾病。
• [EN] PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF<br/>[FR] PYRROLOPYRIMIDINES ET LEURS PROCEDES DE PREPARATION
  申请人：NOVARTIS AG

  公开号：WO1997002266A1

  公开（公告）日：1997-01-23

  (EN) Described are 7H-pyrrolo[2,3-d]pyrimidine derivatives of formula (I) wherein the symbols are as defined in claim 1. Those compounds inhibit tyrosine protein kinase and can be used in the treatment of hyperproliferative diseases, for example tumour diseases.(FR) L'invention a pour objet des dérivés de 7H-pyrrolo(2,3-d)pyrimidine de formule (I) dans laquelle les symboles sont ceux définis dans la revendication 1. Ces composés inhibent la tyrosine protéine kinase et sont utiles pour traiter les maladies hyperprolifératives, par exemple, les maladies tumorales.

  (中文) 描述了公式（I）中符号如权利要求1所定义的7H-吡咯并[2,3-d]嘧啶衍生物。这些化合物抑制酪氨酸蛋白激酶，并可用于治疗增生性疾病，例如肿瘤疾病。
• c-MET MODULATORS AND METHOD OF USE
  申请人：BANNEN CANNE LYNNE

  公开号：US20070179130A1

  公开（公告）日：2007-08-02

  The present invention provides compounds for modulating protein kinase enzymatic activity for modulating cellular activities such as proliferation, differentiation, programmed cell death, migration and chemoinvasion. More specifically, the invention provides appropriately functionalized 5,6-fused bicyclics which inhibit, regulate and/or modulate kinase receptor, particularly c-Met, KDR, and flt-3, signal transduction pathways related to the changes in cellular activities as mentioned above, compositions which contain these compounds, and methods of using them to treat kinase-dependent diseases and conditions.

  本发明提供了化合物，用于调节蛋白激酶酶活性，以调节细胞活动，如增殖、分化、程序性细胞死亡、迁移和化学侵袭。更具体地，本发明提供了适当功能化的5,6-融合双环化合物，其抑制、调节和/或调节激酶受体，特别是c-Met、KDR和flt-3，信号转导通路与上述细胞活动的变化相关，包含这些化合物的组合物，以及使用它们治疗激酶依赖性疾病和病况的方法。