1-(3-溴苯基磺酰)哌啶 | 871269-12-4

• 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: 1-(3-溴苯基磺酰)哌啶
• 中文别名: 1-(3-溴苯基磺酰基)哌啶
• 英文名称: 1-((3-bromophenyl)sulfonyl)piperidine
• 英文别名: 1-(3-Bromophenylsulfonyl)piperidine；1-(3-bromophenyl)sulfonylpiperidine
• CAS: 871269-12-4
• 化学式: C₁₁H₁₄BrNO₂S
• mdl: MFCD07363827
• 分子量: 304.208
• InChiKey: LUWHLKYMEKGKAT-UHFFFAOYSA-N

物化性质

• 熔点：
  80-84

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2935009090
• 危险性防范说明：
  P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险性描述：
  H315,H319
• 储存条件：
  请保持冷静。

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
1-(3-Bromophenylsulfonyl)piperidine
Product Name:
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

---

Section 3. Composition/information on ingredients.
1-(3-Bromophenylsulfonyl)piperidine
Ingredient name:
CAS number: 871269-12-4

---

Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

---

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.
Storage: Store in closed vessels.

---

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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C11H14BrNO2S
Molecular weight: 304.2

---

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, sulfur oxides.

---

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：

  1-(3-溴苯基磺酰)哌啶 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四(三苯基膦)钯 、 sodium acetate 、 potassium carbonate 、 三氟乙酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 为溶剂， 生成
  参考文献：
  名称：

  选择性 PRMT4 抑制剂的合理设计和合成：开发癌症治疗的新化学型**

  摘要：

  蛋白质精氨酸N-甲基转移酶 4 (PRMT4) 不对称地二甲基化组蛋白 H3 和非组蛋白的精氨酸残基。PRMT4 在几种癌症中的过度表达激发了人们对发现抑制剂作为生物工具和潜在的治疗方法的兴趣。尽管已经报道了几种 PRMT4 抑制剂，但大多数对甲基转移酶 PRMT 家族的其他成员表现出较差的选择性。在此，我们报告了一类新的含丙氨酸 3-芳基吲哚作为有效和选择性 PRMT4 抑制剂的基于结构的设计，并描述了此类化合物的关键构效关系。

  DOI：

  10.1002/cmdc.202100018
• 作为产物：
  描述：

  哌啶 、 3-溴苯磺酰氯 在 吡啶 作用下， 以97%的产率得到1-(3-溴苯基磺酰)哌啶
  参考文献：
  名称：

  选择性 PRMT4 抑制剂的合理设计和合成：开发癌症治疗的新化学型**

  摘要：

  蛋白质精氨酸N-甲基转移酶 4 (PRMT4) 不对称地二甲基化组蛋白 H3 和非组蛋白的精氨酸残基。PRMT4 在几种癌症中的过度表达激发了人们对发现抑制剂作为生物工具和潜在的治疗方法的兴趣。尽管已经报道了几种 PRMT4 抑制剂，但大多数对甲基转移酶 PRMT 家族的其他成员表现出较差的选择性。在此，我们报告了一类新的含丙氨酸 3-芳基吲哚作为有效和选择性 PRMT4 抑制剂的基于结构的设计，并描述了此类化合物的关键构效关系。

  DOI：

  10.1002/cmdc.202100018

文献信息

• [EN] BIARYL PYRAZOLES AS NRF2 REGULATORS<br/>[FR] BIARYL PYRAZOLES UTILISÉS COMME RÉGULATEURS DE NRF2
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2017060854A1

  公开（公告）日：2017-04-13

  The present invention relates to biaryl pyrazole compounds, methods of making them, pharmaceutical compositions containing them and their use as NRF2 regulators.

  本发明涉及双芳基吡唑化合物、它们的制备方法、含有它们的药物组合物及其作为NRF2调节剂的应用。
• New phenylpyridylpiperazine compounds
  申请人：Desos Patrice

  公开号：US20060258670A1

  公开（公告）日：2006-11-16

  A compound selected from those of formula (I): wherein: X represents a C(O) or SO 2 group, R 1 represents an aryl group or a group NR 3 R 4 wherein R 3 and R 4 are as defined in the description, R 2 represents an alkyl, (C 3 -C 8 )cycloalkyl or (C 3 -C 8 )cycloalkyl-(C 1 -C 6 )alkyl group, its isomers, and addition salts thereof, and medicinal products containing the same which are useful in treating conditions treatable by antagonists of type H 3 central histamine receptors.

  从式(I)中选择的一种化合物： 其中： X代表C(O)或SO2基团， R1代表芳基或基团NR3R4，其中R3和R4如描述中所定义， R2代表烷基，(C3-C8)环烷基或(C3-C8)环烷基-(C1-C6)烷基基团，其异构体和其盐， 以及含有这种化合物的药物产品，用于治疗可通过H3型中枢组胺受体拮抗剂治疗的疾病。
• Bi-aryl meta-pyrimidine inhibitors of kinases
  申请人：Noronha Glenn

  公开号：US20070259904A1

  公开（公告）日：2007-11-08

  The invention provides biaryl meta-pyrimidine compounds having the general structure (A). The pyrimidine compounds of the invention are capable of inhibiting kinases, such as members of the Jak kinase family, and various other specific receptor and non-receptor kinases.

  本发明提供了具有一般结构（A）的联苯基间吡嘧啶化合物。本发明的吡嘧啶化合物能够抑制激酶，如Jak激酶家族成员以及其他特定的受体和非受体激酶。
• Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases
  申请人：Noronha Glenn

  公开号：US20090275582A1

  公开（公告）日：2009-11-05

  The invention provides biaryl meta-pyrimidine compounds having the general structure (A). The pyrimidine compounds of the invention are capable of inhibiting kinases, such as members of the Jak kinase family, and various other specific receptor and non-receptor kinases.

  本发明提供具有一般结构（A）的双芳基间位嘧啶化合物。本发明的嘧啶化合物能够抑制激酶，如Jak激酶家族的成员，以及各种其他特定的受体和非受体激酶。
• Phenylpyridylpiperazine compounds
  申请人：Les Laboratoires Servier

  公开号：US07494994B2

  公开（公告）日：2009-02-24

  A compound selected from those of formula (I): wherein: X represents a C(O) or SO2 group, R1 represents an aryl group or a group NR3R4 wherein R3 and R4 are as defined in the description, R2 represents an alkyl, (C3-C8)cycloalkyl or (C3-C8)cycloalkyl-(C1-C6)alkyl group, its isomers, and addition salts thereof, and medicinal products containing the same which are useful in treating conditions treatable by antagonists of type H3 central histamine receptors.

  从公式（I）中选择的化合物，其中：X表示C（O）或SO2基团，R1表示芳基或基团NR3R4，其中R3和R4如说明书中所定义，R2表示烷基，（C3-C8）环烷基或（C3-C8）环烷基-(C1-C6)烷基，其异构体和加成盐，以及包含它们的药物制品，用于治疗可由H3中枢组胺受体拮抗剂治疗的疾病。