(5-溴噻吩-2-基)甲胺盐酸盐 | 1001414-56-7

• 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 - 有机氮化合物
• 中文名称: (5-溴噻吩-2-基)甲胺盐酸盐
• 英文名称: (5-bromo-2-thienyl)methanamine hydrochloride
• 英文别名: c-(S-bromo-thiphen-2-yl)-methyl amine hydrochloric acid；(5-bromothiophen-2-yl)methanamine hydrochloride；(5-bromothiophen-2-yl)methanamine;hydrochloride
• CAS: 1001414-56-7
• 化学式: C₅H₆BrNS*ClH
• mdl: MFCD08752581
• 分子量: 228.54
• InChiKey: DWYVWUCEDHIAMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.95
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  54.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: (5-Bromothiophen-2-yl)methanamine hydrobromide
Synonyms: 2-Aminomethyl-5-bromothiophenem, HBr

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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: (5-Bromothiophen-2-yl)methanamine hydrobromide
CAS number: 1001414-56-7

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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.
Storage: Store in closed vessels, refrigerated.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C5H6BrNS.BrH
Molecular weight: 273

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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 bromide, sulfur oxides.

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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：

  (5-溴噻吩-2-基)甲胺盐酸盐 在 sodium hydride 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基乙酰胺 、 mineral oil 为溶剂， 反应 32.5h， 生成 N-((5-bromothiophen-2-yl)methyl)-N-isobutyl-1-phenylmethanesulfonamide
  参考文献：
  名称：

  [EN] BENZYL SULFONAMIDE DERIVATIVES AS RORc MODULATORS
  [FR] DÉRIVÉS DE SULFONAMIDE DE BENZYLE EN TANT QUE MODULATEURS DE RORC

  摘要：

  化合物的公式（I）或其药用盐，其中m、A、B、C、R1、R2、R3、R4和R5如本文所定义。还公开了制备这些化合物的方法，并将这些化合物用于治疗炎症性疾病，如关节炎。

  公开号：

  WO2013092939A1
• 作为产物：
  描述：

  N-[(5-溴-2-噻吩基)甲基]氨基甲酸叔丁酯 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 反应 2.0h， 以95%的产率得到(5-溴噻吩-2-基)甲胺盐酸盐
  参考文献：
  名称：

  WO2008/5457

  摘要：

  公开号：

文献信息

• [EN] COMPOUND WITH ANALGESIC EFFECT FOR USE IN PREVENTION AND TREATMENT OF PAIN<br/>[FR] COMPOSÉ À EFFET ANALGÉSIQUE DESTINÉ À ÊTRE UTILISÉ DANS LA PRÉVENTION ET LE TRAITEMENT DE LA DOULEUR
  申请人：ACADEMIA SINICA

  公开号：WO2018140734A1

  公开（公告）日：2018-08-02

  Compounds for use in prevention and/or treatment of pain are disclosed. The compounds are derived by conjugation of N6-(4-hydroxybenzyl)adenosine and analogous compounds with amino acids or peptides. In one embodiment of the invention, the compound is 5'-glycylcarbonyl-N6-(4-hydroxybenzyl)adenosine (I-a1). In another embodiment of the invention, the compound is 5'-deoxy-5'-(N'- glycylureido)-N6-(4-hydroxybenzyl)adenosine (I-d1). Also disclosed are methods of making and using the same.

  揭示了用于预防和/或治疗疼痛的化合物。这些化合物是通过将N6-(4-羟基苯甲基)腺苷和类似化合物与氨基酸或肽结合而得到的。在本发明的一个实施例中，该化合物是5'-甘氨酰基-N6-(4-羟基苯甲基)腺苷（I-a1）。在本发明的另一个实施例中，该化合物是5'-去氧-5'-(N'-甘氨基脲)-N6-(4-羟基苯甲基)腺苷（I-d1）。还公开了制备和使用这些化合物的方法。
• SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY
  申请人：Woodhead Steven John

  公开号：US20100120798A1

  公开（公告）日：2010-05-13

  The invention provides compounds of the formula (I) having PKA and PKB kinase inhibiting compounds of the formula (I): GP 1 J T 2 J N 4 R N H (I) or salts, solvates, tautomers or N-oxides thereof, wherein (1) GP is a group GP1: HET 2a a Q G (HNCO)f 7 (R)x N * (GP1) (2) GP is a group GP2: 10 (R)r O 2a a QG (CH2)w N V H N * (GP2) wherein HET is a monocyclic or bicyclic heterocyclic group containing up to 4 heteroatom ring members; the ring V is a monocyclic or bicyclic heteroaryl group of 5 to 10 ring members; and J1, J2, R4, R7, R10, Q2a, Ga, x, w and f are as defined in the claims

  本发明提供了公式（I）的化合物，它们具有PKA和PKB激酶抑制化合物的公式（I）：GP 1 J T 2 J N 4 R N H（I）或其盐，溶剂化物，互变异构体或N-氧化物，其中（1）GP是一个GP1组：HET 2a a Q G（HNCO）f 7（R）x N *（GP1）（2）GP是一个GP2组：10（R）r O 2a a QG（CH2）w N V H N *（GP2），其中HET是一个含有最多4个杂环环成员的单环或双环杂环基团；环V是5到10个环成员的单环或双环杂芳基基团；而J1，J2，R4，R7，R10，Q2a，Ga，x，w和f如权利要求所定义。
• BENZYL SULFONAMIDE DERIVATIVES AS RORC MODULATORS
  申请人：Genetech, Inc.

  公开号：US20130190356A1

  公开（公告）日：2013-07-25

  Compounds of the formula I: or pharmaceutically acceptable salts thereof, wherein m, A, B, C, R 1 , R 2 , R 3 , R 4 and R 5 are as defined herein. Also disclosed are methods of making the compounds and using the compounds for treatment of inflammatory diseases such as arthritis.

  公式I的化合物或其药学上可接受的盐，其中m，A，B，C，R1，R2，R3，R4和R5的定义如本文所述。还揭示了制备该化合物的方法以及将该化合物用于治疗炎症性疾病，如关节炎的方法。
• Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors
  申请人：BioCryst Pharmaceuticals, Inc.

  公开号：US11021458B2

  公开（公告）日：2021-06-01

  Disclosed are compounds of formulae I and II, and pharmaceutically acceptable salts and prodrugs thereof, which are inhibitors of the complement system. Also provided are pharmaceutical compositions comprising such a compound, and methods of using the compounds and compositions in the treatment or prevention of a disease or condition characterized by aberrant complement system activity.

  公开了式 I 和 II 的化合物及其药学上可接受的盐和原药，它们是补体系统的抑制剂。还提供了包含此类化合物的药物组合物，以及使用这些化合物和组合物治疗或预防以补体系统活性异常为特征的疾病或病症的方法。
• WO2008/75110
  申请人：——

  公开号：——

  公开（公告）日：——