4-氨基-3,5-二氯哒嗪 | 53180-76-0

• 物质功能分类: 医药中间体 - 杂环化合物 - 哒嗪类化合物
• 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: 4-氨基-3,5-二氯哒嗪
• 中文别名: 3,5-二氯吡嗪-4-胺
• 英文名称: (3,5-dichloropyridazin-4-yl)amine
• 英文别名: 4-amino-3,5-dichloropyridazine；3,5-dichloropyridazin-4-amine；3,5-dichloro-4-aminopyridazine；3,5-dichloro-pyridazin-4-ylamine；3,5-Dichlor-pyridazin-4-ylamin；3,5-dichloropyridazin-4-ylamine
• CAS: 53180-76-0
• 化学式: C₄H₃Cl₂N₃
• 分子量: 163.994
• InChiKey: RPFJGTZUJUOCCL-UHFFFAOYSA-N

物化性质

• 熔点：
  176-178 °C
• 沸点：
  331.3±37.0 °C(Predicted)
• 密度：
  1.606±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090
• 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：
  2-8°C，存于避光阴凉处，并确保密封良好。

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 3,5-Dichloropyridazin-4-amine
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 3,5-Dichloropyridazin-4-amine
CAS number: 53180-76-0

---

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, refrigerated.
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: C4H3Cl2N3
Molecular weight: 164.0

---

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.

---

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：

  4-氨基-3,5-二氯哒嗪 在 palladium 10% on activated carbon sodium hydroxide 、 氢气 作用下， 以 乙醚 、 水 为溶剂， 20.0 ℃ 、344.75 kPa 条件下， 反应 20.0h， 以95%的产率得到5-氨基嘧啶
  参考文献：
  名称：

  [EN] 1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO
  [FR] DERIVES DE 1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO-2,3-C PYRIDIN-2-YLMETHYL)PENTAN-2-OLE ET COMPOSES ASSOCIES EN TANT QUE LIGANDS DE GLUCOCORTICOIDES POUR LE TRAITEMENT DE MALADIES INFLAMMATOIRES ET DE DIABETE

  摘要：

  式(I A)、(IB)、(IC)和(ID)的化合物，其中R1、R2、R3、R4、R5和R6分别如本文所定义的式(I A)、(IB)、(IC)和(ID)，或其互变异构体、前药、溶剂化合物或盐；含有这些化合物的药物组合物，以及利用这些化合物调节糖皮质激素受体功能的方法，以及利用这些化合物治疗由糖皮质激素受体功能介导或以炎症、过敏或增殖过程为特征的疾病状态或病情的方法。

  公开号：

  WO2005030213A1
• 作为产物：
  描述：

  3,4,5-三氯哒嗪 在 氨 作用下， 以 甲醇 为溶剂， 反应 5.0h， 生成 4-氨基-3,5-二氯哒嗪
  参考文献：
  名称：

  [EN] 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES
  [FR] DÉRIVÉS DE 2-AMINO-INDOLE 3-SUBSTITUÉS

  摘要：

  本发明提供了公式(I)（公式(I)）的化合物及其药用可接受的盐，其中Q，X，X4，X5，X6，X7，R1，R2，R3和R8如说明书中所定义，这些化合物的制备方法，包含它们的药物组合物以及这些化合物在治疗中的用途。

  公开号：

  WO2015198045A1

文献信息

• [EN] COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS ET LEURS UTILISATIONS
  申请人：FOGHORN THERAPEUTICS INC

  公开号：WO2021155320A1

  公开（公告）日：2021-08-05

  The present disclosure features compounds useful for the treatment of BAF complex-related disorders.

  本公开涉及用于治疗BAF复合物相关疾病的化合物。
• [EN] NOVEL COMPOUNDS<br/>[FR] COMPOSÉS INÉDITS
  申请人：GLAXO GROUP LTD

  公开号：WO2011038572A1

  公开（公告）日：2011-04-07

  The present invention discloses novel compounds inhibiting LRRK2 kinase activity, the preparation processes thereof, the compositions containing them, as well as the use in treating diseases characterized by LRRK2 kinase activity, particularly Parkinson's disease and Alzheimer's disease.

  本发明公开了抑制LRRK2激酶活性的新化合物，其制备过程，含有它们的组合物，以及在治疗以LRRK2激酶活性为特征的疾病中的应用，特别是帕金森病和阿尔茨海默病。
• Chemical Compounds
  申请人：Pfizer Limited

  公开号：US20140171435A1

  公开（公告）日：2014-06-19

  The present invention relates to imidazopyridazine derivatives. More particularly, it relates to 4-(biphenyl-3-yl)-7H-imidazo[4,5-c]pyridazine derivatives of formula (I): and pharmaceutically acceptable salts thereof, wherein R 1 , R 2 , R 3 , R 4 and R 5 are as defined in the description. The imidazopyridazine derivatives of the present invention modulate the activity of the GABA A receptor. They are useful in the treatment of a number of conditions, including pain.

  本发明涉及咪唑吡啶并嗪衍生物。更具体地，涉及式(I)的4-(联苯基-3-基)-7H-咪唑并嗪衍生物及其药学上可接受的盐，其中R1、R2、R3、R4和R5如描述中所定义。本发明的咪唑吡啶并嗪衍生物调节GABA A 受体的活性。它们在治疗多种疾病，包括疼痛方面具有用处。
• [EN] IMIDAZOPYRIDAZINE DERIVATIVES AS MODULATORS OF THE GABAA RECEPTOR ACTIVITY.<br/>[FR] DÉRIVÉS D'IMIDAZOPYRIDAZINE UTILISÉS COMME MODULATEURS DE L'ACTIVITÉ DES RÉCEPTEURS GABAA.
  申请人：PFIZER LTD

  公开号：WO2015189744A1

  公开（公告）日：2015-12-17

  The present invention relates to imidazopyridazine derivatives. More particularly, it relates to 4-(biphenyl-3-yl)-7H-imidazo[4,5-c]pyridazine derivatives of formula (I) and pharmaceutically acceptable salts thereof, wherein R1, R2, R3, R4, R and R6 are as defined in the description. The imidazopyridazine derivatives of the present invention modulate the activity of the GABAA receptor. They are useful in the treatment of a number of conditions, including pain.

  本发明涉及咪唑吡啶并嗪衍生物。更具体地，涉及式(I)的4-(联苯基-3-基)-7H-咪唑并嗪衍生物及其药学上可接受的盐，其中R1、R2、R3、R4、R和R6如描述中所定义。本发明的咪唑吡啶并嗪衍生物调节GABAA受体的活性。它们在治疗多种疾病，包括疼痛方面具有用处。
• Design and identification of a novel, functionally subtype selective GABA_Apositive allosteric modulator (PF-06372865).
  作者：Robert M. Owen、David C Blakemore、Lishuang Cao、Neil Flanagan、Rebecca Fish、Karl R Gibson、Rachel Gurrell、Chan Woo Huh、Juha Kammonen、Elisabeth Mortimer-Cassen、Sarah Nickolls、Kiyoyuki Omoto、Dafydd R Owen、Andrew Pike、David C. Pryde、David Reynolds、Rosemarie Roeloffs、Colin R. Rose、Clara Stead、Mifune Takeuchi、Joseph S Warmus、Christine Watson

  DOI：10.1021/acs.jmedchem.9b00322

  日期：——

  optimization, and evaluation of a series of novel imidazopyridazine-based subtype-selective positive allosteric modulators (PAMs) for the GABAA ligand-gated ion channel are described. From a set of initial hits multiple subseries were designed and evaluated based on binding affinity and functional activity. As designing in the desired level of functional selectivity proved difficult, a probability-based

  GABAA配体门控离子通道的一系列新型咪唑并哒嗪基亚型选择性正变构调节剂（PAM）的设计，优化和评估。从一组初始命中物中，设计了多个亚系列，并根据结合亲和力和功能活性对其进行了评估。由于难以在所需的功能选择性水平上进行设计，因此进行了基于概率的评估，以将项目的工作重点放在单个子系列上，该子系列提供目标配置文件的可能性最大。这些努力最终导致从该亚系列中鉴定出两个候选物，这些候选物已进行到临床前安全性研究，随后又鉴定了临床候选物PF-06372865。