2,4-二氯-7,8-二氢-5H-硫代吡喃并[4,3-d]嘧啶 6,6-二氧化物 | 1187830-50-7

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃吡啶类
• 中文名称: 2,4-二氯-7,8-二氢-5H-硫代吡喃并[4,3-d]嘧啶 6,6-二氧化物
• 中文别名: 2,4-二氯-7,8-二氢-5H-噻喃并[4,3-D]嘧啶6,6-二氧化物；2,4-二氯-7,8-二氢-5H-硫代吡喃并[4,3-d]嘧啶6,6-二氧化物；2,4-二氯-7,8-二氢-5H-噻喃并[4,3-D]嘧啶 6,6-二氧化物
• 英文名称: 2,4-dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 6,6-dioxide
• CAS: 1187830-50-7
• 化学式: C₇H₆Cl₂N₂O₂S
• 分子量: 253.109
• InChiKey: AGJGXYNUEZKNJB-UHFFFAOYSA-N

物化性质

• 沸点：
  524.6±50.0 °C(Predicted)
• 密度：
  1.652

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  68.3
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2,4-Dichloro-7,8-dihydro-5h-s,s-di-oxoisothiopyrano[4,3-d]pyrimidine
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: 2,4-Dichloro-7,8-dihydro-5h-s,s-di-oxoisothiopyrano[4,3-d]pyrimidine
CAS number: 1187830-50-7

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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: C7H6Cl2N2O2S
Molecular weight: 253.1

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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 chloride, sulfur oxides.

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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：

  2,4-二氯-7,8-二氢-5H-硫代吡喃并[4,3-d]嘧啶 6,6-二氧化物 在 aluminum (III) chloride 、 氯化铵 、 对甲苯磺酸 、 N,N-二异丙基乙胺 、 锌 作用下， 以 1,4-二氧六环 、 乙二醇二甲醚 、 乙醇 、 N,N-二甲基乙酰胺 、 水 为溶剂， 生成 N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-5-((4-(5-fluoro-1-methyl-1H-indol-3-yl)-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)amino)-4-methoxyphenyl)-2-chloroacrylamide
  参考文献：
  名称：

  一种含取代苯基丙烯酰胺结构的嘧啶类化合物及其应用

  摘要：

  本发明公开了一种含取代苯基丙烯酰胺结构的嘧啶类化合物、其几何异构体及其药学上可接受的盐、水合物、溶剂化物或前药。本发明含取代苯基丙烯酰胺结构的嘧啶类化合物，及其药学上可接受的盐、水合物或溶剂化物作为活性成份，与药学上可接受的载体或赋型剂混合制备成组合物，并制备成临床上可接受的剂型。本发明化合物在制备治疗和/或预防增生性疾病药物中的应用，在制备治疗和/或预防癌症的药物中的应用，在制备治疗和/或预防肺癌、前列腺癌、乳腺癌和宫颈癌的药物中应用。

  公开号：

  CN109280048A
• 作为产物：
  描述：

  2,4-二氯-7,8-二氢-5H-噻喃并[4,3-d]嘧啶 在 O₄W^(2-)*2Na⁽¹⁺⁾*3H₂O 、 双氧水 作用下， 以 甲醇 为溶剂， 以87%的产率得到2,4-二氯-7,8-二氢-5H-硫代吡喃并[4,3-d]嘧啶 6,6-二氧化物
  参考文献：
  名称：

  一种含取代苯基丙烯酰胺结构的嘧啶类化合物及其应用

  摘要：

  本发明公开了一种含取代苯基丙烯酰胺结构的嘧啶类化合物、其几何异构体及其药学上可接受的盐、水合物、溶剂化物或前药。本发明含取代苯基丙烯酰胺结构的嘧啶类化合物，及其药学上可接受的盐、水合物或溶剂化物作为活性成份，与药学上可接受的载体或赋型剂混合制备成组合物，并制备成临床上可接受的剂型。本发明化合物在制备治疗和/或预防增生性疾病药物中的应用，在制备治疗和/或预防癌症的药物中的应用，在制备治疗和/或预防肺癌、前列腺癌、乳腺癌和宫颈癌的药物中应用。

  公开号：

  CN109280048A

文献信息

• MK2 INHIBITORS AND USES THEREOF
  申请人：Celgene Avilomics Research, Inc.

  公开号：US20160075720A1

  公开（公告）日：2016-03-17

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用它们的方法。
• [EN] MORPHOLINO SUBSTITUTED BICYCLIC PYRIMIDINE UREA OR CARBAMATE DERIVATIVES AS MTOR INHIBITORS<br/>[FR] DÉRIVÉS URÉE OU CARBAMATE DE PYRIMIDINE BICYCLIQUE À SUBSTITUTION MORPHOLINO EN TANT QU'INHIBITEURS DE MTOR
  申请人：CELLZOME LTD

  公开号：WO2013050508A1

  公开（公告）日：2013-04-11

  The invention relates to compounds of formula (I) wherein m, o, Ra, Rb, R1 and T1 have the meaning as cited in the description and the claims. Said compounds are useful as inhibitors of mTOR for the treatment or prophylaxis of mTOR related diseases and disorders. The invention also relates to pharmaceutical compositions including said compounds, the preparation of such compounds as well as the use as medicaments.

  该发明涉及式(I)的化合物，其中m、o、Ra、Rb、R1和T1的含义如描述和权利要求中所述。所述化合物可用作mTOR的抑制剂，用于治疗或预防与mTOR相关的疾病和紊乱。该发明还涉及包括所述化合物的药物组合物，以及制备此类化合物以及用作药物的用途。
• [EN] IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE<br/>[FR] INHIBITEURS DE LA KINASE ALK2 CONTENANT DE L'IMIDAZOLE
  申请人：BIOCRYST PHARM INC

  公开号：WO2018232094A1

  公开（公告）日：2018-12-20

  Disclosed are compounds of formula (I), (II), (III), and (IV), and pharmaceutically acceptable salts thereof. The compounds are inhibitors of ALK2 kinase. Also provided are pharmaceutical compositions comprising a compound of formula (I), (II), (III), or (IV), or pharmaceutically acceptable salt thereof, and methods involving use of the compounds or pharmaceutically acceptable salts thereof and compositions in the treatment and prevention of various diseases and conditions, such as fibrodysplasia ossificans progressiva.

  揭示了化合物的公式（I）、（II）、（III）和（IV），以及它们的药用盐。这些化合物是ALK2激酶的抑制剂。还提供了包含公式（I）、（II）、（III）或（IV）的化合物或其药用盐的药物组合物，以及涉及使用这些化合物或其药用盐和组合物治疗和预防各种疾病和病况的方法，如纤维性骨化进行性疾病。
• MORPHOLINO SUBSTITUTED BICYCLIC PYRIMIDINE UREA OR CARBAMATE DERIVATIVES AS MTOR INHIBITORS
  申请人：CELLZOME LIMITED

  公开号：US20140288066A1

  公开（公告）日：2014-09-25

  The invention relates to compounds of formula (I) wherein m, o, R a , R b , R 1 and T 1 have the meaning as cited in the description and the claims. The compounds are useful as inhibitors of mTOR for the treatment or prophylaxis of mTOR related diseases and disorders. The invention also relates to pharmaceutical compositions including the compounds, the preparation of the compounds as well as their use as medicaments.

  本发明涉及式（I）化合物，其中m，o，Ra，Rb，R1和T1的含义如说明书和权利要求所述。该化合物可用作mTOR的抑制剂，用于治疗或预防与mTOR相关的疾病和障碍。本发明还涉及包括该化合物的制药组合物、该化合物的制备以及其作为药物的用途。
• MK2 inhibitors and uses thereof
  申请人：Celgene CAR LLC

  公开号：US10253040B1

  公开（公告）日：2019-04-09

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用方法。