3-氨基-6-碘哒嗪 | 187973-60-0

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡嗪类化合物
• 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: 3-氨基-6-碘哒嗪
• 中文别名: 6-碘吡嗪-3-胺
• 英文名称: 6-iodopyridazin-3-amine
• 英文别名: 3-amino-6-iodopyridazine
• CAS: 187973-60-0
• 化学式: C₄H₄IN₃
• 分子量: 221.0
• InChiKey: QHEUBRHRIJMZOR-UHFFFAOYSA-N

物化性质

• 沸点：
  399.6±27.0 °C(Predicted)
• 密度：
  2.204

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  8
• 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：
  应存放在2-8°C的环境中，避免光照，并保存在惰性气体中。

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 6-Iodopyridazin-3-amine
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 6-Iodopyridazin-3-amine
CAS number: 187973-60-0

---

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: C4H4IN3
Molecular weight: 221.0

---

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 Iodide.

---

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：

  3-氨基-6-碘哒嗪 在 potassium phosphate 、 copper(l) iodide 、 氨 、 L-羟基脯氨酸 作用下， 以 二甲基亚砜 为溶剂， 反应 24.0h， 以46%的产率得到3,6-二氨基哒嗪
  参考文献：
  名称：

  Preparation of differentially substituted 3,6-diaminopyridazines under mild conditions

  摘要：

  DOI：

  10.1016/j.tetlet.2014.07.096
• 作为产物：
  描述：

  3-氨基-6-氯哒嗪 在 氢碘酸 作用下， 反应 20.0h， 生成 3-氨基-6-碘哒嗪
  参考文献：
  名称：

  钯催化交叉偶联反应合成3-氨基-6-（杂）芳基哒嗪的新方法1

  摘要：

  经由钯的3-氨基-6-（杂）arylpyridazines合成上的3-氨基-6-氯哒嗪（催化的交叉偶联反应（铃木，的Stille）1A）和3-氨基-6- iodopyridazine（1B）进行了研究。结果比较表明，无需从1b开始。还描述了一种由1a合成化合物1b的改进方法。

  DOI：

  10.1016/s0040-4020(00)00083-1

文献信息

• [EN] NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS<br/>[FR] NOUVEAUX COMPOSÉS ET COMPOSITIONS PHARMACEUTIQUES ASSOCIÉES POUR LE TRAITEMENT DE TROUBLES INFLAMMATOIRES
  申请人：GALAPAGOS NV

  公开号：WO2019076716A1

  公开（公告）日：2019-04-25

  The present invention discloses compounds according to Formula I: (Formula I) Wherein R1, L1, R2, L2, R3, Cy, and the subscript n are as defined herein. The present invention relates to compounds, methods for their production, pharmaceutical compositions comprising the same, and methods of treatment using the same, for the prophylaxis and/or treatment of allergic diseases, inflammatory diseases, metabolic diseases, autoinflammatory diseases, autoimmune diseases, proliferative diseases, transplantation rejection, diseases involving impairment of cartilage turnover, congenital cartilage malformations, and/or diseases associated with hypersecretion of IFNα, IL12 and/or IL23 by administering the compound of the invention.

  本发明公开了根据式I的化合物：（式I）其中R1，L1，R2，L2，R3，Cy和下标n如本文所定义。本发明涉及化合物、其生产方法、包括其在内的药物组合物，以及使用这些化合物进行预防和/或治疗过敏性疾病、炎症性疾病、代谢性疾病、自身炎症性疾病、自身免疫性疾病、增殖性疾病、移植排斥、涉及软骨周转受损、先天软骨畸形和/或与IFNα、IL12和/或IL23过度分泌相关的疾病的治疗方法。
• FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF
  申请人：Sakai Nozomu

  公开号：US20090137595A1

  公开（公告）日：2009-05-28

  The present invention provides a fused heterocyclic derivative having a potent kinase inhibitory activity and use thereof. A compound represented by the formula (I): wherein each symbol is as defined in the specification, except a particular compound, or a salt thereof, and a pharmaceutical agent containing the compound or a prodrug thereof, which is a kinase (VEGFR, VEGFR2, PDGFR, Raf) inhibitor, an angiogenesis inhibitor, an agent for the prophylaxis or treatment of cancer, a cancer growth inhibitor or a cancer metastasis suppressor.

  本发明提供了一种具有强大激酶抑制活性的融合杂环衍生物及其用途。 一种由以下式（I）表示的化合物： 其中除了特定化合物或其盐外，每个符号如规范中定义，以及含有该化合物或其前药的药用剂，该化合物是激酶（VEGFR、VEGFR2、PDGFR、Raf）抑制剂，血管生成抑制剂，用于癌症的预防或治疗的药剂，癌症生长抑制剂或癌症转移抑制剂。
• [EN] HETEROCYCLIC INHIBITORS OF GLUTAMINASE<br/>[FR] INHIBITEURS HÉTÉROCYCLIQUES DE GLUTAMINASE
  申请人：CALITHERA BIOSCIENCES INC

  公开号：WO2013078123A1

  公开（公告）日：2013-05-30

  The invention relates to the heterocyclic compounds of Formula (I) as defined further herein, and pharmaceutical preparations thereof. The invention further relates to methods of treating cancer, immunological or neurological diseases using the heterocyclic compounds of the invention.

  本发明涉及式(I)定义的杂环化合物及其药物制剂。本发明进一步涉及使用本发明的杂环化合物治疗癌症、免疫性或神经疾病的方法。
• Discovery of N -[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2- b ]pyridazin-6-yl}oxy)-2-methylphenyl]-1,3-dimethyl-1 H -pyrazole-5-carboxamide (TAK-593), a highly potent VEGFR2 kinase inhibitor
  作者：Naoki Miyamoto、Nozomu Sakai、Takaharu Hirayama、Kazuhiro Miwa、Yuya Oguro、Hideyuki Oki、Kengo Okada、Terufumi Takagi、Hidehisa Iwata、Yoshiko Awazu、Seiji Yamasaki、Toshiyuki Takeuchi、Hiroshi Miki、Akira Hori、Shinichi Imamura

  DOI：10.1016/j.bmc.2013.01.074

  日期：2013.4

  for the treatment of cancer. In this study, we describe the design, synthesis, and biological evaluation of 2-acylamino-6-phenoxy-imidazo[1,2-b]pyridazine derivatives. Hybridization of two distinct imidazo[1,2-b]pyridazines 1 and 2, followed by optimization led to the discovery of N-[5-(2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-methylphenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide

  血管内皮生长因子（VEGF）在肿瘤血管生成中起着重要作用，抑制其信号传导途径被认为是治疗癌症的有效治疗选择。在这项研究中，我们描述了2-酰基氨基-6-苯氧基-咪唑并[1,2- b ]哒嗪衍生物的设计，合成和生物学评估。两种不同的咪唑并[1,2- b ]哒嗪1和2杂交，然后进行优化导致发现N- [5-（2-[（环丙基羰基）氨基]咪唑并[1,2- b ]哒嗪- 6-基}氧基）-2-甲基苯基] -1,3-二甲基-1 H-吡唑-5-羧酰胺（23a（TAK-593）作为一种高效的VEGF受体2激酶抑制剂，IC 50值为0.95 nM。化合物23a以0.30 nM的IC 50强烈抑制了VEGF刺激的人脐静脉内皮细胞的增殖。激酶选择性分析显示23a抑制了血小板衍生的生长因子受体激酶以及VEGF受体激酶。在使用人肺腺癌A549细胞的小鼠异种移植模型中，口服1mg / kg的23a可以有效抑制肿瘤的生长（T
• [EN] PYRROLIDINO HETEROCYCLES<br/>[FR] HÉTÉROCYCLES PYRROLIDINO
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013178569A1

  公开（公告）日：2013-12-05

  The invention relates to compounds of formula I wherein A1, A2, A3, B, R1, R2, R3 and R4 are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds inhibit PDE10A and can be used as medicaments.

  这项发明涉及公式I的化合物，其中A1、A2、A3、B、R1、R2、R3和R4如描述和索赔中所定义，并且其生理上可接受的盐。这些化合物抑制PDE10A，可用作药物。