3-氨基-6-氯嘧啶-2-腈基 | 95095-84-4

• 物质功能分类: 有机原料 - 氨基化合物 - 含氧基氨基化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 3-氨基-6-氯嘧啶-2-腈基
• 中文别名: 3-氨基-6-氯吡啶-2-甲腈
• 英文名称: 3-amino-6-chloropicolinonitrile
• 英文别名: 3-amino-6-chloro-pyridine-2-carbonitrile；3-amino-6-chloro-2-cyanopyridine；3-Amino-6-chloropyridine-2-carbonitrile
• CAS: 95095-84-4
• 化学式: C₆H₄ClN₃
• mdl: MFCD07780767
• 分子量: 153.571
• InChiKey: GGQNLFCQZACXET-UHFFFAOYSA-N

物化性质

• 熔点：
  175-176.5 °C(Solv: ethanol (64-17-5))
• 沸点：
  372.4±42.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  10
• 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：
  62.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  室温且干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Amino-6-chloropyridine-2-carbonitrile
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: 3-Amino-6-chloropyridine-2-carbonitrile
CAS number: 95095-84-4

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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, refrigerated.
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: C6H4ClN3
Molecular weight: 153.6

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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 chloride.

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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：

  3-氨基-6-氯嘧啶-2-腈基 在 盐酸 、 manganese(IV) oxide 、 硼烷四氢呋喃络合物 、 乙醇 、 tin(ll) chloride 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 117.0h， 生成 3-氨基-6-氯吡啶甲醛
  参考文献：
  名称：

  WO2021014415A5

  摘要：

  公开号：

  WO2021014415A5
• 作为产物：
  描述：

  6-氯-2-氰基-3-硝基吡啶 在 盐酸 、 铁粉 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以34%的产率得到3-氨基-6-氯嘧啶-2-腈基
  参考文献：
  名称：

  2,4-二氨基-6-[（芳基）硫代，亚磺酰基和磺酰基]吡啶并[3,2- d ]嘧啶的合成及抗疟药性能†

  摘要：

  描述了一系列2,4-二氨基-6-[（芳基）硫代，亚磺酰基和磺酰基]吡啶基-[3,2- d ]嘧啶的合成和抗疟活性。2，6-二氯吡啶的硝化提供了3-硝基衍生物，其被氰化亚铜转化为6-氯-3-硝基-2-吡啶腈（V）。芳基硫醇与V的缩合得到6-芳基硫代吡啶VI，将其在盐酸中用铁还原，再与氯甲am缩合，得到6-芳基硫代吡啶并[3,2 - d ]嘧啶-2,4-二胺X。还原成与氯甲am缩合的胺the，然后用芳硫醇处理所得的6-氯吡啶并[3,2- d ]嘧啶（IX）。X的氧化提供了亚磺酰基和磺酰基类似物。

  DOI：

  10.1002/jhet.5570210556

文献信息

• [EN] SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE<br/>[FR] INHIBITEURS À PETITE MOLÉCULE DE KINASE INDUISANT NF-KB
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2020239999A1

  公开（公告）日：2020-12-03

  The present invention relates to compounds that inhibit NIK and pharmaceutical compositions comprising such compounds and methods of using the same. These compounds and pharmaceutical compositions are envisaged to be useful for preventing or treating diseases such as cancer (such as B-cell malignancies including leukemias, lymphomas and myeloma), inflammatory disorders, autoimmune disorders, immunodermatologic disorders such as palmoplantar pustulosis and hidradenitis suppurativa, and metabolic disorders such as obesity and diabetes.

  本发明涉及抑制NIK的化合物，以及包含这些化合物的药物组合物和使用方法。这些化合物和药物组合物预期能用于预防或治疗癌症（如包括白血病、淋巴瘤和多发性骨髓瘤的B细胞恶性肿瘤）、炎症性疾病、自身免疫疾病、免疫皮肤病学疾病（如掌跖脓疱病和化脓性汗腺炎）以及代谢紊乱疾病（如肥胖和糖尿病）。
• SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS
  申请人：Bristol-Myers Squibb Company

  公开号：US20210061802A1

  公开（公告）日：2021-03-04

  Disclosed are compounds of Formula (I): or a salt thereof, wherein: R 1 , R 2 , R 4 , R 5 , and m are defined herein. Also disclosed are methods of using such compounds to inhibit the activity of one or both of diacylglycerol kinase alpha (DGKα) and diacylglycerol kinase zeta (DGKζ), and pharmaceutical compositions comprising such compounds. These compounds are useful in the treatment of viral infections and proliferative disorders, such as cancer.

  揭示了Formula (I)的化合物或其盐，其中：R1、R2、R4、R5和m在此处被定义。还揭示了使用这些化合物来抑制二酰甘油激酶α(DGKα)和二酰甘油激酶ζ(DGKζ)中的一个或两个活性的方法，以及包含这些化合物的药物组合物。这些化合物在治疗病毒感染和增生性疾病（如癌症）方面是有用的。
• AROMATIC RING FUSED TRIAZINE DERIVATIVES AND USES THEREOF
  申请人：Zhao Linxiang

  公开号：US20110183972A1

  公开（公告）日：2011-07-28

  The invention belongs to pharmaceutical field. The invention relates to the compounds according to Formula I, including their optically active forms, pharmaceutically acceptable salts or hydrates, and the pharmaceutical composition comprising thereof as active ingredient; uses in the preparation of vascular endothelial growth factor receptor tyrosine kinase inhibitors, and uses in the preparation of medicament for the treatment and/or prevention of cancer.

  本发明属于药物领域。本发明涉及根据公式I的化合物，包括它们的光学活性形式、药物可接受的盐或水合物，以及包含它们作为活性成分的药物组合物；用于制备血管内皮生长因子受体酪氨酸激酶抑制剂的使用，以及用于制备治疗和/或预防癌症的药物的使用。
• 4,6-双取代吡啶[3,2-d]嘧啶类化合物及其制 备和应用
  申请人：沈阳药科大学

  公开号：CN110903286B

  公开（公告）日：2021-09-24

  本发明属于医药技术领域，具体涉及4,6‑双取代吡啶[3,2‑d]嘧啶类化合物及其药学上可接受的盐，化合物的制备方法，以该化合物为活性成分的药物组合物，以及在制备MNK抑制剂及其用于治疗和/或预防各种癌症和/或代谢性疾病的药物中的用途。本发明涉及式Ⅰ、Ⅱ、Ⅲ或、Ⅳ所示的化合物、及其药学上可接受的盐、水合物、溶剂化物、代谢化物：其中，各变量如权利要求和说明书所述。
• Design and synthesis of substituted pyrido[3,2-d]-1,2,3-triazines as potential Pim-1 inhibitors
  作者：Yin-Bo Fan、Kun Li、Min Huang、Yu Cao、Ying Li、Shu-Yu Jin、Wen-Bing Liu、Jia-Chen Wen、Dan Liu、Lin-Xiang Zhao

  DOI：10.1016/j.bmcl.2016.01.032

  日期：2016.2

  A novel series of substituted pyrido[3,2-d]-1,2,3-triazines were designed and synthesized as Pim-1 inhibitors through scaffold hopping. Most of the derivatives showed potent in vitro Pim-1 inhibitory activities and anti-proliferative effects toward prostate cancer cells. Among them, 6b, 6h and 6m showed the best Pim-1 inhibitory activity with IC50 values of 0.69, 0.60 and 0.80 μM, respectively. Furthermore

  设计了一系列新颖的取代吡啶并[3,2-d] -1,2,3-三嗪，并通过支架跳跃合成为Pim-1抑制剂。大多数衍生物对前列腺癌细胞显示出有效的体外Pim-1抑制活性和抗增殖作用。其中6b，6h和6m表现出最佳的Pim-1抑制活性，IC50值分别为0.69、0.60和0.80μM。此外，化合物6b，6i，6j和6m对人前列腺癌LNcap和PC-3细胞系显示出很强的抑制活性，其IC50值处于低微摩尔水平。结构活性关系分析表明，在C-6位适当的取代有助于激酶抑制和抗增殖作用。而且，免疫印迹分析表明6j可以剂量依赖性地降低PC-3细胞中p-BAD和p-4E-BP1的水平。对接研究表明，支架的3-N与Lys67形成氢键，芳族4-苯胺与Phe49形成关键的π-π堆积。综上所述，该研究可能为开发作为新型Pim-1抑制剂的吡啶并[3,2-d] -1,2,3-三嗪支架提供了第一见。