6-甲氧基吡啶-3-硫代甲酰胺 | 175277-49-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 6-甲氧基吡啶-3-硫代甲酰胺
• 中文别名: 6-甲氧基-3-吡啶-硫代甲酰胺；6-甲氧基-3-吡啶硫代甲酰胺
• 英文名称: 6-methoxypyridinecarbothioamide
• 英文别名: 6-methoxypyridine-3-carbothiamide；6-methoxypyridine-3-carbothioamide
• CAS: 175277-49-3
• 化学式: C₇H₈N₂OS
• 分子量: 168.219
• InChiKey: YAKXWVMVPOHRGZ-UHFFFAOYSA-N

物化性质

• 熔点：
  150 °C
• 沸点：
  292.5±50.0 °C(Predicted)
• 密度：
  1.262±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  80.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2933399090
• 危险性防范说明：
  P280
• 危险性描述：
  H302,H317

SDS

Name:	6-Methoxypyridine-3-carbothioamide 97% Material Safety Data Sheet
Synonym:	6-Methoxythionicotinamid
CAS:	175277-49-3

Section 1 - Chemical Product MSDS Name:6-Methoxypyridine-3-carbothioamide 97% Material Safety Data Sheet
Synonym:6-Methoxythionicotinamid

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175277-49-3	6-Methoxypyridine-3-carbothioamide	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 175277-49-3: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 150 - 152 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H8N2OS
Molecular Weight: 168

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, amines.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 175277-49-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
6-Methoxypyridine-3-carbothioamide - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 175277-49-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175277-49-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175277-49-3 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  6-甲氧基吡啶-3-硫代甲酰胺 在 盐酸 、 ammonium hydroxide 、 N-溴代丁二酰亚胺(NBS) 作用下， 以 1,4-二氧六环 、 N,N-二甲基乙酰胺 、 水 为溶剂， 反应 22.5h， 生成 N-[3-[5-(2-aminopyrimidin-4-yl)-2-(6-oxo-1H-pyridin-3-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
  参考文献：
  名称：

  [EN] C-TERMINAL SRC KINASE INHIBITORS
  [FR] INHIBITEURS DE KINASE SRC C-TERMINALE

  摘要：

  本文提供了新型C端Srk激酶（CSK）抑制剂，例如具有G、I、II或III式的抑制剂。还提供了制备新型CSK抑制剂的方法以及利用这些新型CSK抑制剂治疗癌症等疾病或紊乱的方法，或者用于促进需要的主体的免疫反应。

  公开号：

  WO2020125615A1
• 作为产物：
  描述：

  6-甲氧基烟腈 在 吡啶 、 ammonium sulfide 、 三乙胺 作用下， 反应 3.0h， 以71%的产率得到6-甲氧基吡啶-3-硫代甲酰胺
  参考文献：
  名称：

  [EN] C-TERMINAL SRC KINASE INHIBITORS
  [FR] INHIBITEURS DE KINASE SRC C-TERMINALE

  摘要：

  本文提供了新型C端Srk激酶（CSK）抑制剂，例如具有G、I、II或III式的抑制剂。还提供了制备新型CSK抑制剂的方法以及利用这些新型CSK抑制剂治疗癌症等疾病或紊乱的方法，或者用于促进需要的主体的免疫反应。

  公开号：

  WO2020125615A1

文献信息

• PIPERIDINE-AMIDE DERIVATIVES
  申请人：Andjelkovic Mirjana

  公开号：US20080300279A1

  公开（公告）日：2008-12-04

  The invention is concerned with novel piperidine-amide derivatives of formula (I) wherein R 1 , R 2 , X and Y are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds inhibit L-CPT1 and may be used to treat diseases associated with L-CPT1.

  这项发明涉及式（I）中的新型哌啶酰胺衍生物，其中R1、R2、X和Y如描述和权利要求中定义，并且其生理上可接受的盐和酯。这些化合物抑制L-CPT1，可用于治疗与L-CPT1相关的疾病。
• [EN] NEW HETEROCYCLIC COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS HÉTÉROCYCLIQUES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2021005034A1

  公开（公告）日：2021-01-14

  The invention provides new heterocyclic compounds having the general formula (I) wherein R1, R2, X, and Y are as defined herein, compositions including the compounds, processes of manufacturing the compounds and methods of using the compounds.

  该发明提供了具有一般式（I）的新杂环化合物，其中R1、R2、X和Y如本文所定义，包括这些化合物的组合物，制造这些化合物的过程以及使用这些化合物的方法。
• NOVEL 2-HETARYLTHIAZOLE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS PHARMACEUTICALS
  申请人：Bothe Ulrich

  公开号：US20090203715A1

  公开（公告）日：2009-08-13

  The present invention relates to 2-hetarylthiazole-4-carboxamide derivatives of the formula (I), the use thereof as medicament for the treatment of various disorders, and processes for the preparation thereof

  本发明涉及式(I)的2-杂环基噻唑-4-甲酰胺衍生物，其用作治疗各种疾病的药物，以及其制备方法。
• [EN] INHIBITORS OF AKT ACTIVITY<br/>[FR] INHIBITEURS DE L'ACTIVITÉ D'AKT
  申请人：MERCK SHARP & DOHME

  公开号：WO2011130921A1

  公开（公告）日：2011-10-27

  The instant invention provides for substituted thiazoles that inhibit Akt activity. In particular, the compounds disclosed selectively inhibit one or two of the Akt isoforms. The invention also provides for compositions comprising such inhibitory compounds and methods of inhibiting Akt activity by administering the compound to a patient in need of treatment of cancer.

  本发明提供了替代噻唑，可以抑制Akt活性。特别地，所披露的化合物选择性地抑制一种或两种Akt同工酶。本发明还提供了包含这种抑制剂化合物的组合物和通过向需要癌症治疗的患者投药该化合物来抑制Akt活性的方法。
• Compounds and methods of uses
  申请人：Amgen, Inc.

  公开号：US06822097B1

  公开（公告）日：2004-11-23

  Selected compounds are effective for treatment of diseases, such as cell proliferation or apoptosis mediated diseases. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable derivatives thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving stroke, cancer and the like. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

  选定的化合物对于治疗细胞增殖或凋亡介导的疾病有效。本发明包括新型化合物、类似物、前药以及其药学上可接受的衍生物、药物组合物以及预防和治疗中风、癌症等疾病和其他疾病或病况的方法。本发明还涉及制备这些化合物的过程以及在这些过程中有用的中间体。