2,6-二氯嘧啶-4-甲酸甲酯 | 6299-85-0

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2,6-二氯嘧啶-4-甲酸甲酯
• 中文别名: 2,4-二氯嘧啶-6-甲酸甲酯； 2,6-二氯嘧啶-4-甲酸甲酯
• 英文名称: 2,6-dichloropyrimidine-4-carboxylic acid methyl ester
• 英文别名: methyl 2,6-dichloropyrimidine-4-carboxylate；methyl 2,4-dichloropyrimidine-6-carboxylate
• CAS: 6299-85-0
• 化学式: C₆H₄Cl₂N₂O₂
• mdl: MFCD01941317
• 分子量: 207.016
• InChiKey: DQNQNLWKAGZNIT-UHFFFAOYSA-N

物化性质

• 熔点：
  54-56
• 沸点：
  306 ºC
• 密度：
  1.503
• 闪点：
  139 ºC

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933599090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  -20°C，密封保存，并确保干燥。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Methyl 2,4-dichloropyrimidine-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: Methyl 2,4-dichloropyrimidine-6-carboxylate
CAS number: 6299-85-0

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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.
Storage: Store in closed vessels, refrigerated.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H4Cl2N2O2
Molecular weight: 207.0

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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：

  2,6-二氯嘧啶-4-甲酸甲酯 在 bis-triphenylphosphine-palladium(II) chloride 、 dirhodium tetraacetate 、 四正辛基溴化铵 sodium periodate 、 锂硼氢 、 碘苯二乙酸 、 magnesium oxide 、 sodium carbonate 、 三乙胺 、 sodium iodide 、 sodium hydroxide 作用下， 以 四氢呋喃 、 2-甲基四氢呋喃 、 甲醇 、 乙二醇二甲醚 、 乙醇 、 2-甲基戊烷 、 二氯甲烷 、 水 、 乙酸乙酯 、 乙腈 为溶剂， 反应 212.49h， 生成 AZD6738
  参考文献：
  名称：

  CHEMICAL COMPOUNDS

  摘要：

  提供了化合物的化学式（I）， 其中： R 2 是吗 或其药用盐，其制备方法，含有它们的药物组合物以及它们在治疗中的用途。

  公开号：

  US20110306613A1
• 作为产物：
  描述：

  乳清酸 在 三乙胺 、 N,N-二甲基甲酰胺 、 三氯氧磷 作用下， 以 正己烷 为溶剂， 反应 18.5h， 生成 2,6-二氯嘧啶-4-甲酸甲酯
  参考文献：
  名称：

  设计，合成和药理学评价一流的多目标N-酰基Ac衍生物作为选择性HDAC6 / 8和PI3Kα抑制剂。

  摘要：

  靶向组蛋白脱乙酰基酶（HDACs）和磷脂酰肌醇3-激酶（PI3Ks）是一种非常有前途的癌症治疗方法。该手稿描述了充当HDAC6 / 8和PI3Kα双重抑制剂的新型N-酰基hydr（NAH）衍生物的设计，合成，体外药理学特征和分子模型。对PI3Kα的惊人的选择性可能与活性位点的构象差异有关。细胞研究表明，这些化合物在HDAC6抑制和PI3 / K / AKT / mTOR途径中起作用。选择性抑制HDAC6 / 8和抑制PI3Kα的化合物显示出治疗癌症的潜力。

  DOI：

  10.1002/cmdc.201900716

文献信息

• DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE AND PHARMACEUTICALS CONTAINING THE SAME
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：US20160002251A1

  公开（公告）日：2016-01-07

  The present invention provides a dihydropyridazine-3,5-dione derivative or a salt thereof, or a solvate of the compound or the salt, a pharmaceutical drug, a pharmaceutical composition, a sodium-dependent phosphate transporter inhibitor, and a preventive and/or therapeutic agent for hyperphosphatemia, secondary hyperparathyroidism, chronic renal failure, chronic kidney disease, and arteriosclerosis associated with vascular calcification comprising the compound as an active ingredient, and a method for prevention and/or treatment.

  本发明提供了一种二氢吡啶嗪-3,5-二酮衍生物或其盐，或化合物或盐的溶剂化合物，一种药物，一种药物组合物，一种钠依赖性磷酸盐转运体抑制剂，以及作为活性成分的化合物的高磷血症、继发性甲状旁腺功能亢进症、慢性肾功能衰竭、慢性肾病和与血管钙化相关的动脉硬化的预防和/或治疗剂，以及预防和/或治疗的方法。
• [EN] AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS<br/>[FR] DÉRIVÉS D'AZÉTIDIN-3-YLMÉTHANOL EN TANT QUE MODULATEURS DU RÉCEPTEUR CCR6
  申请人：IDORSIA PHARMACEUTICALS LTD

  公开号：WO2021219849A1

  公开（公告）日：2021-11-04

  The present invention relates to compounds of Formula (I), their synthesis and use as CCR6 receptor modulators for the treatment or prevention of various diseases, conditions or disorders.

  本发明涉及式(I)化合物，其合成以及作为CCR6受体调节剂用于治疗或预防各种疾病、状况或障碍。
• [EN] AZOLE COMPOUNDS AS PIM INHIBITORS<br/>[FR] COMPOSÉS D'AZOLE UTILISÉS EN TANT QU'INHIBITEURS DES PIM
  申请人：AMGEN INC

  公开号：WO2012129338A1

  公开（公告）日：2012-09-27

  The invention relates to bicyclic compounds of formulas I and Ia, and salts thereof. In some embodiments, the invention relates to inhibitors or modulators of Pim-1 and/or Pim-2, and/or Pim-3 protein kinase activity or enzyme function. In still further embodiments, the invention relates to pharmaceutical compositions comprising compounds disclosed herein, and their use in the prevention and treatment of Pim kinase related conditions and diseases, preferably cancer.

  该发明涉及公式I和Ia的双环化合物及其盐。在某些实施例中，该发明涉及Pim-1和/或Pim-2和/或Pim-3蛋白激酶活性或酶功能的抑制剂或调节剂。在更进一步的实施例中，该发明涉及包含本文所披露的化合物的药物组合物，以及它们在预防和治疗Pim激酶相关疾病和病症，尤其是癌症中的用途。
• Aminopyrimidine Kinase Inhibitors
  申请人：Baldino Carmen M.

  公开号：US20110152235A1

  公开（公告）日：2011-06-23

  Disclosed are compounds, pharmaceutical compositions containing those compounds, and uses of the compounds and compositions as modulators of casein kinase 1 (e.g., CK1γ), casein kinase 2 (CK2), Pim 1, Pim2, Pim3, the TGFβ pathway, the Wnt pathway, the JAK/STAT pathway, and/or the mTOR pathway. Uses are also disclosed for the treatment or prevention of a range of therapeutic indications due at least in part to aberrant physiological activity of casein kinase 1 (e.g., CK1γ), casein kinase 2 (CK2), Pim 1, Pim2, Pim3, the TGFβ pathway, the Wnt pathway, the JAK/STAT pathway, and/or the mTOR pathway.

  揭示了化合物、含有这些化合物的药物组合物，以及这些化合物和组合物作为酪蛋白激酶1（例如CK1γ）、酪蛋白激酶2（CK2）、Pim 1、Pim2、Pim3、TGFβ途径、Wnt途径、JAK/STAT途径和/或mTOR途径调节剂的用途。还揭示了用于治疗或预防一系列治疗适应症的用途，至少部分原因是由于酪蛋白激酶1（例如CK1γ）、酪蛋白激酶2（CK2）、Pim 1、Pim2、Pim3、TGFβ途径、Wnt途径、JAK/STAT途径和/或mTOR途径的异常生理活性。
• [EN] PYRIDYL OR PYRIMIDYL MTOR KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASE MTOR DE PYRIDYLE OU DE PYRIMIDYLE
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2020249652A1

  公开（公告）日：2020-12-17

  The invention relates to compounds or pharmaceutically acceptable salts thereof of formula (I): (I) wherein R1, R2, R3, R4, R4' and R5 are as defined in the description and claims; and compounds or pharmaceutically acceptable salts thereof of formulas (II), (IIa), (IIb), (IIc), and (III) having mTOR kinase inhibitor activity. The invention also relates to pharmaceutical compositions which include a compound of formula (I), (II), (IIa), (IIb), (IIc), or (III) or a pharmaceutically acceptable salt thereof, and to the use of a compound of formula (I), (II), (IIa), (IIb), (IIc), or (III), or a pharmaceutically acceptable salt thereof in therapy, including in the treatment of a disease or condition for which an mTOR kinase inhibitor activity is indicated, and in particular the treatment of idiopathic pulmonary fibrosis.

  该发明涉及化合物或其药用可接受盐的公式(I)：（I）其中R1、R2、R3、R4、R4'和R5如描述和索赔中定义；以及具有mTOR激酶抑制剂活性的公式(II)、(IIa)、(IIb)、(IIc)和(III)的化合物或其药用可接受盐。该发明还涉及包括公式(I)、(II)、(IIa)、(IIb)、(IIc)或(III)的化合物或其药用可接受盐的药物组合物，以及在治疗中使用公式(I)、(II)、(IIa)、(IIb)、(IIc)或(III)的化合物或其药用可接受盐，包括治疗需要mTOR激酶抑制剂活性的疾病或症状，特别是治疗特发性肺纤维化。