7-bromopyrido[3,2-d]pyrimidin-4(3H)-one | 573675-29-3

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 7-bromopyrido[3,2-d]pyrimidin-4(3H)-one
• 英文别名: 7-bromo-3H-pyrido[3,2-d]pyrimidin-4-one
• CAS: 573675-29-3
• 化学式: C₇H₄BrN₃O
• mdl: MFCD12400764
• 分子量: 226.032
• InChiKey: NGLZIMDUQCALAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• WGK Germany：
  3
• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H312,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 7-Bromopyrido[3,2-d]pyrimidin-4-ol
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: 7-Bromopyrido[3,2-d]pyrimidin-4-ol
CAS number: 573675-29-3

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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: C7H4BrN3O
Molecular weight: 226.0

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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 bromide.

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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：

  7-bromopyrido[3,2-d]pyrimidin-4(3H)-one 在 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 以 甲苯 为溶剂， 以58.5 %的产率得到7-溴-4-氯吡咯并[3,2-D]嘧啶
  参考文献：
  名称：

  含稠合杂环结构的吲哚啉类化合物及其制备方法和应用

  摘要：

  本发明涉及一类含稠合杂环结构的吲哚啉类化合物及其制备方法和应用，属于医药领域，具体公开通式I所示的含稠合杂环结构的吲哚啉类化合物及其立体异构体以及药学上可接受的盐，它们的制备方法和其在制备治疗与PD‑1/PD‑L1蛋白/蛋白相互作用有关的疾病的药物中的应用。本发明涉及化合物对PD‑1/PD‑L1蛋白/蛋白相互作用具有高水平的抑制活性，所述含稠合杂环结构的吲哚啉类化合物及其立体异构体以及药学上可接受的盐可用于制备治疗与PD‑1/PD‑L1信号通路异常有关的疾病如癌症、感染性疾病、自身免疫性疾病的药物。

  公开号：

  CN116283971A
• 作为产物：
  描述：

  5-溴-2-氰基-3-硝基吡啶 在 盐酸 、 tin(II) chloride dihdyrate 、 sodium acetate 、 sodium hydroxide 作用下， 反应 0.17h， 生成 7-bromopyrido[3,2-d]pyrimidin-4(3H)-one
  参考文献：
  名称：

  [EN] IMINOTHIADIAZINE DIOXIDES BEARING AN AMINE-LINKED SUBSTITUENT AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE
  [FR] DIOXYDES D'IMINOTHIADIAZINE PORTANT UN SUBSTITUANT LIÉ À UNE AMINE, UTILISÉS EN TANT QU'INHIBITEURS DE BACE, COMPOSITIONS LES CONTENANT ET LEUR UTILISATION

  摘要：

  在其许多实施方式中，本发明提供了某些亚硫酸咪唑二氧化物化合物，包括化合物式（I）所示的化合物或其互变异构体，以及所述化合物和所述互变异构体的药用可接受盐，其中R1、R2、环A、RA、m、环B、RB和n如本文所定义。该发明的新化合物可用作BACE抑制剂和/或用于治疗和预防与之相关的各种病理病变。还公开了包括一个或多个此类化合物（单独或与一个或多个其他活性剂结合）的药物组合物，以及其制备和使用的方法，包括可能用于治疗阿尔茨海默病的方法。

  公开号：

  WO2016118404A1

文献信息

• ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT
  申请人：Centre National de la Recherche Scientifique

  公开号：US20210009581A1

  公开（公告）日：2021-01-14

  The present invention concerns a compound of following general formula (I): where: either R is an R 1 group and R′ is an -A 1 -Cy 1 group, or R is an -A 1 -Cy 1 group and R′ is an R 1 group, R 1 particularly being H or (C 1 -C 6 )alkyl group; A 1 being an —NH— radical or —NH—CH 2 — radical; Cy 1 particularly being a phenyl group, A is a fused (hetero)aromatic ring having 5 to 7 atoms, for use for treating cancer.

  本发明涉及以下一般式（I）的化合物： 其中： R是R1基团且R′是-A1-Cy1基团，或者R是-A1-Cy1基团且R′是R1基团， 其中R1特别是H或（C1-C6）烷基基团； A1是—NH—基团或—NH—CH2—基团； Cy1特别是苯基， A是具有5到7个原子的融合（杂）芳香环， 用于治疗癌症。
• BRIDGED BICYCLIC AMINO THIAZINE DIOXIDE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF
  申请人：AMGEN INC.

  公开号：US20150038497A1

  公开（公告）日：2015-02-05

  The present invention provides a new class of compounds useful for the modulation of beta-secretase enzyme (BACE) activity. The compounds have a general Formula I: wherein variables A 4 , A 5 , A 6 , A 8 , R 1 , R 2 , R 3 , R 7 and n of Formula I, independently, are defined herein. The invention also provides pharmaceutical compositions comprising the compounds, and corresponding uses of the compounds and compositions for treatment of disorders and/or conditions related to A-beta plaque formation and deposition, resulting from the biological activity of BACE. Such BACE mediated disorders include, for example, Alzheimer's Disease, cognitive deficits, cognitive impairments, schizophrenia and other central nervous system conditions. The invention further provides compounds of Formula II and sub-formula embodiments thereof, compounds of Formula III, intermediates and processes and methods useful for the preparation of compounds of Formulas I-III, and sub-Formulas thereof.

  本发明提供了一类新的化合物，用于调节β-分泌酶（BACE）活性。这些化合物具有一般的化学式I： 其中化学式I中的变量A4、A5、A6、A8、R1、R2、R3、R7和n，在本文中分别定义。该发明还提供了包括这些化合物的药物组合物，以及这些化合物和组合物用于治疗与A-beta斑块形成和沉积相关的疾病和/或症状的对应用途，这些疾病和症状是由BACE的生物活性引起的。这种由BACE介导的疾病包括阿尔茨海默病、认知缺陷、认知障碍、精神分裂症和其他中枢神经系统疾病。该发明还提供了化学式II和其亚式化合物、化学式III的化合物、中间体以及用于制备化学式I-III及其亚式化合物的化合物的制备的过程和方法。
• [EN] CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE<br/>[FR] COMPOSÉS THIAZIN-2-AMINE FUSIONNÉE À UN GROUPEMENT CYCLOPROPYLE UTILISÉS EN TANT QU'INHIBITEURS DE LA BÊTA-SECRÉTASE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：AMGEN INC

  公开号：WO2016022724A1

  公开（公告）日：2016-02-11

  The present invention provides a new class of compounds useful for the modulation of beta-secretase enzyme (BACE) activity. The compounds have a general Formula (I): wherein variables A4, A5, A6, A8, and each of Ra, Rb, R1, R2, R3 and R7 of Formula (I), independently, are defined herein. The invention also provides pharmaceutical compositions comprising the compounds, and uses of the compounds and compositions for treatment of disorders and/or conditions related to A-beta plaque formation and 15 deposition, resulting from the biological activity of BACE. Such BACE mediated disorders include, for example, Alzheimers Disease, cognitive deficits, cognitive impairments, schizophrenia and other central nervous system conditions. The invention further provides compounds of Formulas (II) and (III), and sub-formula embodiments thereof, intermediates and methods for preparing compounds of the invention.

  本发明提供了一类新的化合物，用于调节β-分泌酶（BACE）活性。这些化合物具有一般式（I）：其中一般式（I）中的变量A4、A5、A6、A8，以及Ra、Rb、R1、R2、R3和R7各自独立地在此定义。该发明还提供了包括这些化合物的药物组合物，以及用于治疗与A-beta斑块形成和沉积相关的疾病和/或症状的化合物和组合物的用途，这些疾病和症状是由BACE的生物活性引起的。这种由BACE介导的疾病包括，例如，阿尔茨海默病、认知缺陷、认知障碍、精神分裂症和其他中枢神经系统疾病。该发明还提供了一般式（II）和（III）的化合物，以及其亚式形式、中间体和制备本发明化合物的方法。
• [EN] IMINOTHIADIAZINE DIOXIDES BEARING AN AMINE-LINKED SUBSTITUENT AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE<br/>[FR] DIOXYDES D'IMINOTHIADIAZINE PORTANT UN SUBSTITUANT LIÉ À UNE AMINE, UTILISÉS EN TANT QU'INHIBITEURS DE BACE, COMPOSITIONS LES CONTENANT ET LEUR UTILISATION
  申请人：MERCK SHARP & DOHME

  公开号：WO2016118404A1

  公开（公告）日：2016-07-28

  In its many embodiments, the present invention provides certain iminothiazine dioxide compounds, including compounds Formula (I): or a tautomers thereof, and pharmaceutically acceptable salts of said compounds and said tautomers, wherein R1, R2, ring A, RA, m, ringB, RB, and n are as defined herein. The novel compounds of the invention are useful as BACE inhibitors and/or for the treatment and prevention of various pathologies related thereto. Pharmaceutical compositions comprising one or more such compounds (alone and in combination with one or more other active agents), and methods for their preparation and use, including for the possible treatment of Alzheimer's disease, are also disclosed.

  在其许多实施方式中，本发明提供了某些亚硫酸咪唑二氧化物化合物，包括化合物式（I）所示的化合物或其互变异构体，以及所述化合物和所述互变异构体的药用可接受盐，其中R1、R2、环A、RA、m、环B、RB和n如本文所定义。该发明的新化合物可用作BACE抑制剂和/或用于治疗和预防与之相关的各种病理病变。还公开了包括一个或多个此类化合物（单独或与一个或多个其他活性剂结合）的药物组合物，以及其制备和使用的方法，包括可能用于治疗阿尔茨海默病的方法。
• Substituted quinazolin-4-ylamine analogues
  申请人：——

  公开号：US20040106616A1

  公开（公告）日：2004-06-03

  Substituted quinazolin-4-ylamine analogues are provided. Such compounds are ligands that may be used to modulate specific receptor activity in vivo or in vitro, and are particularly useful in the treatment of conditions associated with pathological receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for using them to treat such disorders are provided, as are methods for using such ligands for receptor localization studies. 1

  提供了替代的喹唑啉-4-胺类似物。这些化合物是配体，可用于调节体内或体外特定受体的活性，并在治疗与人类、家养伴侣动物和家畜动物的病理性受体激活相关的疾病方面特别有用。提供了用于治疗此类疾病的制药组合物和方法，以及用于受体定位研究的此类配体的方法。