噻酚-2-甲脒盐酸盐 | 54610-70-7

• 物质功能分类: 医药中间体 - 杂环化合物 - 噻吩类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 中文名称: 噻酚-2-甲脒盐酸盐
• 中文别名: 噻酚-2-羰基咪唑盐酸盐；噻酚甲脒盐酸盐；2-脒基噻酚盐酸盐
• 英文名称: thiophene-2-carboximidamide hydrochloride
• 英文别名: thiophene-2-carboxamidine hydrochloride；2-thienyl amidinium chloride；[Amino(thiophen-2-yl)methylidene]azanium;chloride
• CAS: 54610-70-7
• 化学式: C₅H₆N₂S*ClH
• mdl: MFCD00173786
• 分子量: 162.643
• InChiKey: URAGJMBGNVOIJC-UHFFFAOYSA-N

物化性质

• 熔点：
  172-175°C

计算性质

• 辛醇/水分配系数(LogP)：
  0.81
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.1
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P301+P312,P302+P352,P304+P340,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存放条件：室温、密封、干燥。

SDS

Name:	Thiophene-2-carboximidamide hydrochloride 95+% Material Safety Data Sheet
Synonym:	2-Amindinothiophene hydrochlorid
CAS:	54610-70-7

Section 1 - Chemical Product MSDS Name:Thiophene-2-carboximidamide hydrochloride 95+% Material Safety Data Sheet
Synonym:2-Amindinothiophene hydrochlorid

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
54610-70-7	Thiophene-2-carboximidamide hydrochlor	95+%	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# 54610-70-7: 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 172 - 175 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: C5H7ClN2S
Molecular Weight: 163

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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, bases.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, 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# 54610-70-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Thiophene-2-carboximidamide hydrochloride - 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# 54610-70-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 54610-70-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 54610-70-7 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：

  噻酚-2-甲脒盐酸盐 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 1.0h， 生成 2-噻吩羧酰胺
  参考文献：
  名称：

  银催化的芳基am与苄基异氰化物的[3 + 2 + 1]环化

  摘要：

  开发了银催化的with与苄基异氰化物向[2,4-二芳基-1,3,5-三嗪]的[3 + 2 + 1]环化反应。以中等到良好的产率获得了各种对称和不对称的产物。这项工作还具有2,4-二取代的三嗪的无氧化剂方法。

  DOI：

  10.1016/j.tetlet.2017.10.032
• 作为产物：
  描述：

  methyl thiophene-2-carbimidate hydrochloride 在 氨 作用下， 生成 噻酚-2-甲脒盐酸盐
  参考文献：
  名称：

  一系列[1,2,4]三唑并[1,5-c]喹唑啉的腺苷拮抗剂活性的合成和评价。

  摘要：

  通过2-氨基苯甲酰肼的某些衍生物与几种芳香族hydro盐酸盐的反应及其对重组人腺苷A2A的结合亲和力，以令人满意的收率制备了一系列[1,2,4]三唑并[1,5-c]喹唑啉确定了A2B受体。新化合物均未显示出对这些受体的显着亲和力，尽管对A2A受体的亲和力非常高，因此对其中一种合成的化合物显示出很高的A2A / A2B选择性。

  DOI：

  10.1248/cpb.55.372

文献信息

• Kinase inhibitors
  申请人：Amgen Inc.

  公开号：US20040116388A1

  公开（公告）日：2004-06-17

  The invention relates to inhibitors of enzymes that bind to ATP or GTP and/or catalyze phosphoryl transfer, compositions comprising the inhibitors, and methods of using the inhibitors and inhibitor compositions. The inhibitors and compositions comprising them are useful for treating disease or disease symptoms. The invention also provides for methods of making phosphoryl transferase inhibitor compounds, methods of inhibiting phosphoryl transferase activity, and methods for treating disease or disease symptoms.

  这项发明涉及与ATP或GTP结合并/或催化磷酸转移的酶的抑制剂，包括这些抑制剂的组合物，以及使用这些抑制剂和抑制剂组合物的方法。这些抑制剂和包含它们的组合物对治疗疾病或疾病症状是有用的。该发明还提供了制备磷酸转移酶抑制剂化合物的方法，抑制磷酸转移酶活性的方法，以及治疗疾病或疾病症状的方法。
• [EN] NEW THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] NOUVEAUX DÉRIVÉS DE THIÉNOPYRIMIDINE, PROCÉDÉ POUR LEUR PRÉPARATION ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：SERVIER LAB

  公开号：WO2015097123A1

  公开（公告）日：2015-07-02

  Compounds of formula (I): wherein R1, R2, R3, R4, R5, R6, R7, R12, X, A and n are as defined in the description.

  式（I）的化合物：其中R1、R2、R3、R4、R5、R6、R7、R12、X、A和n的定义如描述中所述。
• 1, 2, 4-Thiadiazol-5-Ylpiperazine derivatives useful in the treatment of neurodegenerative diseases
  申请人：Griffioen Gerard

  公开号：US20140128404A1

  公开（公告）日：2014-05-08

  The present invention relates to a compound of formula (IA) The present invention also relates to the use of the compound of formula IA for treating certain neurodegenerative disorders characterized by cytotoxic TAU misfolding and/or aggregation.

  本发明涉及一种化合物的公式（IA）。本发明还涉及利用公式IA化合物治疗由细胞毒性TAU错误折叠和/或聚集特征的某些神经退行性疾病。
• Novel Benzohydroxamate-Based Potent and Selective Histone Deacetylase 6 (HDAC6) Inhibitors Bearing a Pentaheterocyclic Scaffold: Design, Synthesis, and Biological Evaluation
  作者：Barbara Vergani、Giovanni Sandrone、Mattia Marchini、Chiara Ripamonti、Edoardo Cellupica、Elisabetta Galbiati、Gianluca Caprini、Gianfranco Pavich、Giulia Porro、Ilaria Rocchio、Maria Lattanzio、Marcello Pezzuto、Malgorzata Skorupska、Paola Cordella、Paolo Pagani、Pietro Pozzi、Roberta Pomarico、Daniela Modena、Flavio Leoni、Raffaella Perego、Gianluca Fossati、Christian Steinkühler、Andrea Stevenazzi

  DOI：10.1021/acs.jmedchem.9b01194

  日期：2019.12.12

  Histone deacetylase 6 (HDAC6) is a peculiar HDAC isoform whose expression and functional alterations have been correlated with a variety of pathologies such as autoimmune disorders, neurodegenerative diseases, and cancer. It is primarily a cytoplasmic protein, and its deacetylase activity is focused mainly on nonhistone substrates such as tubulin, heat shock protein (HSP)90, Foxp3, and cortactin, to

  组蛋白脱乙酰基酶6（HDAC6）是一种特殊的HDAC亚型，其表达和功能改变已与多种病理学相关，例如自身免疫性疾病，神经退行性疾病和癌症。它主要是一种细胞质蛋白，其脱乙酰酶活性主要集中在非组蛋白底物上，例如微管蛋白，热休克蛋白（HSP）90，Foxp3和cortactin等。HDAC6的选择性抑制在健康细胞中不显示细胞毒性作用，通常与I类HDAC同工型的抑制有关。在这里，我们描述了带有五杂环中央核心的新型有效和选择性HDAC6抑制剂的设计和合成。
• [EN] 1, 2, 4 -THIADIAZOL- 5 -YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT NEURODEGENERATIVE DISEASES<br/>[FR] DÉRIVÉS DE 1,2,4-THIADIAZOL-5-YLPIPÉRAZINE UTILES DANS LE TRAITEMENT DE MALADIES NEURODÉGÉNÉRATIVES
  申请人：REMYND NV

  公开号：WO2013004642A1

  公开（公告）日：2013-01-10

  The present invention relates to a compound of formula (IA) The present invention also relates to the use of the compound of formula IA for treating certain neurodegenerative disorders characterized by cytotoxic TAU misfolding and/or aggregation.

  本发明涉及一种化合物，其化学式为（IA）。本发明还涉及利用化合物IA治疗某些以细胞毒性TAU错误折叠和/或聚集为特征的神经退行性疾病。