3-溴-4H-噻吩并[3,2-b]吡咯-5-羧酸 | 332099-36-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡咯类
• 中文名称: 3-溴-4H-噻吩并[3,2-b]吡咯-5-羧酸
• 中文别名: 3-溴-4H-噻吩并[3,2-B]吡咯-5-羧酸
• 英文名称: 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
• CAS: 332099-36-2
• 化学式: C₇H₄BrNO₂S
• 分子量: 246.084
• InChiKey: WQGQGYADKDKACG-UHFFFAOYSA-N

物化性质

• 沸点：
  487.4±40.0 °C(Predicted)
• 密度：
  2.049±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  81.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Bromo-4h-thieno[3,2-b]pyrrole-5-carboxylic acid
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-Bromo-4h-thieno[3,2-b]pyrrole-5-carboxylic acid
CAS number: 332099-36-2

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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.
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: C7H4BrNO2S
Molecular weight: 246.1

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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：

  3-溴-4H-噻吩并[3,2-b]吡咯-5-羧酸 在 甲醇 、 potassium carbonate 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 、 sodium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 103.5h， 生成 tert-butyl ((1R,4R,7R)-2-(2-(3-bromo-4-(cyclopropylmethyl)-4H-thieno[3,2-b]pyrrol-5-yl)-7-methoxy-1-methyl-1H-benzo[d]imidazole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-7-yl)carbamate
  参考文献：
  名称：

  WO2020033490A5

  摘要：

  公开号：

  WO2020033490A5
• 作为产物：
  描述：

  叠氮乙酸乙酯 生成 3-溴-4H-噻吩并[3,2-b]吡咯-5-羧酸
  参考文献：
  名称：

  Bicyclic pyrrolyl amides as glycogen phosphorylase inhibitors

  摘要：

  本发明涉及式I化合物的化合物或立体异构体、药学上可接受的盐或前药，或前药的药学上可接受的盐。本发明还涉及包含式I化合物的药物组合物，以及治疗糖尿病、胰岛素抵抗、糖尿病性神经病变、糖尿病性肾病变、糖尿病性视网膜病变、白内障、高血糖、高胆固醇血症、高血压、高胰岛素血症、高脂血症、动脉粥样硬化或组织缺血的方法。

  公开号：

  US06399601B1

文献信息

• Bicyclic pyrrolyl amides as glycogen phosphorylase inhibitors
  申请人：Pfizer Inc.

  公开号：US06399601B1

  公开（公告）日：2002-06-04

  This invention relates to compounds of Formula I or stereoisomers, pharmaceutically acceptable salts or prodrugs thereof or a pharmaceutically acceptable salts of the prodrugs. This invention also relates to pharmaceutical compositions comprising a compound of Formula I, and to methods of treatment of diabetes, insulin resistance, diabetic neuropathy, diabetic nephropathy, diabetic retinopathy, cataracts, hyperglycemia, hypercholesterolemia, hypertension, hyperinsulinemia, hyperlipidemia, atherosclerosis, or tissue ischemia.

  本发明涉及式I化合物的化合物或立体异构体、药学上可接受的盐或前药，或前药的药学上可接受的盐。本发明还涉及包含式I化合物的药物组合物，以及治疗糖尿病、胰岛素抵抗、糖尿病性神经病变、糖尿病性肾病变、糖尿病性视网膜病变、白内障、高血糖、高胆固醇血症、高血压、高胰岛素血症、高脂血症、动脉粥样硬化或组织缺血的方法。
• FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE
  申请人：Heffernan L. R. Michele

  公开号：US20080004327A1

  公开（公告）日：2008-01-03

  This invention provides novel inhibitors of the enzyme D-amino acid oxidase as well as pharmaceutical compositions including the compounds of the invention. The invention also provides methods for the treatment and prevention of neurological disorders, such as neuropsychiatric and neurodegenerative diseases, as well as pain, ataxia and convulsion. The compounds of the invention have the general structure: wherein A is NH or S. Q is a member selected from CR 1 and N. X and Y are members independently selected from O, S, CR 2 , N and NH. R 1 , R 2 and R 4 are members independently selected from H and F, provided that at least one member selected from R 1 , R 2 and R 4 is F. R 6 is a member selected from O − X + and OH, wherein X + is a positive ion, which is a member selected from inorganic positive ions and organic positive ions.

  这项发明提供了D-氨基酸氧化酶的新型抑制剂，以及包括该发明中化合物的药物组合物。该发明还提供了用于治疗和预防神经系统疾病，如神经精神病和神经退行性疾病，以及疼痛、共济失调和抽搐的方法。该发明中的化合物具有一般结构：其中A为NH或S。Q是从CR1和N中选择的成员。X和Y分别是从O、S、CR2、N和NH中独立选择的成员。R1、R2和R4是从H和F中独立选择的成员，前提是至少选择R1、R2和R4中的一个成员为F。R6是从O−X+和OH中选择的成员，其中X+是正离子，从无机正离子和有机正离子中选择的成员。
• Tetrazole compounds as thyroid receptor ligands
  申请人：——

  公开号：US20020006946A1

  公开（公告）日：2002-01-17

  The present invention relates to tetrazole compounds of Formula I, stereoisomers, pharmaceutically acceptable salts and prodrugs thereof, and pharmaceutically acceptable salts of the prodrugs. 1 The invention also relates to compositions comprising the tetrazole compounds and to methods of treating obesity, diabetes, atherosclerosis, hypertension, coronary heart disease, hypercholesterolemia, hyperlipidemia, thyroid disease, thyroid cancer, hypothyroidism, depression, glaucoma, cardiac arrhythmias, congestive heart failure, and osteoporosis using the tetrazole compounds.

  本发明涉及公式I的四唑化合物、立体异构体、药用可接受的盐及其前药，以及前药的药用可接受的盐。该发明还涉及包含四唑化合物的组合物，以及使用四唑化合物治疗肥胖、糖尿病、动脉粥样硬化、高血压、冠心病、高胆固醇血症、高脂血症、甲状腺疾病、甲状腺癌、甲状腺功能减退症、抑郁症、青光眼、心律失常、充血性心力衰竭和骨质疏松症的方法。
• Methods of treating diabetic cardiomyopathy using glycogen phosphorylase inhibitors
  申请人：——

  公开号：US20010046958A1

  公开（公告）日：2001-11-29

  The present invention provides methods of treating diabetic cardiomyopathy, the methods comprising administering to a patient having or at risk of having diabetic cardiomyopathy a therapeutically effective amount of a glycogen phosphorylase inhibitor. The present invention also provides methods of treating diabetic cardiomyopathy, the methods comprising administering to a patient having 1) diabetes and 2) having cardiovascular disease, ischemic heart disease, congestive heart failure, congestive heart failure but not having coronary arteriosclerosis, hypertension, diastolic blood pressure abnormalities, microvascular diabetic complications, abnormal left ventricular function, myocardial fibrosis, abnormal cardiac function, pulmonary congestion, small vessel disease, small vessel disease without atherosclerotic cardiovascular disease or luminal narrowing, coagulopathy, cardiac contusion, or having had or at risk of having a myocardial infarction a therapeutically effective amount of a glycogen phosphorylase inhibitor.

  本发明提供了治疗糖尿病心肌病的方法，该方法包括向患有或有患糖尿病心肌病风险的患者施用治疗有效量的糖原磷酸化酶抑制剂。本发明还提供了治疗糖尿病心肌病的方法，该方法包括向同时患有1）糖尿病和2）心血管疾病、缺血性心脏病、充血性心力衰竭、充血性心力衰竭但不患冠状动脉硬化、高血压、舒张期血压异常、微血管糖尿病并发症、左心室功能异常、心肌纤维化、心脏功能异常、肺充血、小血管病变、无动脉粥样硬化性心血管疾病或腔内狭窄的小血管病变、凝血异常、心脏挫伤或有心肌梗死风险的患者施用治疗有效量的糖原磷酸化酶抑制剂。
• Methods of treating obesity using a neurotensin receptor ligand
  申请人：——

  公开号：US20010046956A1

  公开（公告）日：2001-11-29

  The present invention relates to methods of treating obesity, diabetes, sexual dysfunction, atherosclerosis, insulin resistance, impaired glucose tolerance, hypercholesterolemia or hypertrigylceridemia using a neurotensin receptor ligand. The present invention also relates to pharmaceutical compositions and kits that comprise a neurotensin receptor ligand.

  本发明涉及使用神经肽T受体配体治疗肥胖症、糖尿病、性功能障碍、动脉粥样硬化、胰岛素抵抗、糖耐量受损、高胆固醇血症或高三酰甘油血症的方法。本发明还涉及包含神经肽T受体配体的制药组合物和工具箱。