N-异丙基-3-溴-5-硝基苯甲酰胺 | 941294-16-2

• 物质功能分类: 原料药 - 人工合成抗感染类药 - 磺胺类药及增效剂
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-异丙基-3-溴-5-硝基苯甲酰胺
• 英文名称: 3-bromo-N-isopropyl-5-nitrobenzamide
• 英文别名: 3-bromo-5-nitro-N-propan-2-ylbenzamide
• CAS: 941294-16-2
• 化学式: C₁₀H₁₁BrN₂O₃
• 分子量: 287.113
• InChiKey: CEBPIVWDZLKYQQ-UHFFFAOYSA-N

物化性质

• 沸点：
  369.0±32.0 °C(Predicted)
• 密度：
  1.501±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2924299090

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: N-Isopropyl 3-bromo-5-nitrobenzamide
Synonyms: 3-Bromo-N-isopropyl-5-nitrobenzamide

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: N-Isopropyl 3-bromo-5-nitrobenzamide
CAS number: 941294-16-2

---

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.

---

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.

---

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.

---

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:

---

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.

---

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: C10H11BrN2O3
Molecular weight: 287.1

---

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.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

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

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  N-异丙基-3-溴-5-硝基苯甲酰胺 、 1-甲基-4-(4,4,5,5-四甲基-1,3,2-二氧杂戊硼烷-2-基)-1H-吡唑 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 12.0h， 以59%的产率得到N-isopropyl-3-(1-methyl-1H-pyrazol-4-yl)-5-nitrobenzamide
  参考文献：
  名称：

  [EN] 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS
  [FR] COMPOSÉS 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE UTILISÉS COMME INHIBITEURS DE CBP ET/OU DE EP300

  摘要：

  公开号：

  WO2016086200A9
• 作为产物：
  描述：

  3-溴-5-硝基苯甲酸 、 异丙胺 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以86%的产率得到N-异丙基-3-溴-5-硝基苯甲酰胺
  参考文献：
  名称：

  [EN] 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS
  [FR] COMPOSÉS 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE UTILISÉS COMME INHIBITEURS DE CBP ET/OU DE EP300

  摘要：

  公开号：

  WO2016086200A9

文献信息

• THERAPEUTIC COMPOUNDS AND USES THEREOF
  申请人：Constellation Pharmaceuticals, Inc.

  公开号：US20160158207A1

  公开（公告）日：2016-06-09

  The present invention relates to compounds of formula (I) or formula (II): and to salts thereof, wherein R 1 -R 4 of formula (I) and R 1 -R 3 of formula (II) have any of the values defined herein, and compositions and uses thereof. The compounds are useful as inhibitors of CBP and/or EP300. Also included are pharmaceutical compositions comprising a compound of formula (I) of formula (II) or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various CBP and/or EP300-mediated disorders.

  本发明涉及公式（I）或公式（II）的化合物及其盐，其中公式（I）的R1-R4和公式（II）的R1-R3具有以下定义的任何值，以及其组合物和用途。这些化合物可用作CBP和/或EP300的抑制剂。还包括含有公式（I）或公式（II）的化合物或其药学上可接受的盐的制药组合物，以及使用这些化合物和盐治疗各种CBP和/或EP300介导的疾病的方法。
• 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS
  申请人：Genentech, Inc.

  公开号：EP3224258A1

  公开（公告）日：2017-10-04
• 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS
  申请人：Genentech, Inc.

  公开号：EP3224258B1

  公开（公告）日：2019-08-14
• US9763922B2
  申请人：——

  公开号：US9763922B2

  公开（公告）日：2017-09-19