4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine dihydrochloride | 157327-44-1

• 物质功能分类: 医药中间体
• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine dihydrochloride
• 英文别名: hydron;4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;chloride
• CAS: 157327-44-1
• 化学式: C₆H₉N₃*2ClH
• 分子量: 196.079
• InChiKey: LVDGPTTXPPHTCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.48
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  40.7
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090
• 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

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4,5,6,7-Tetrahydro-1H-pyrazolo[4,3-c]pyridine DiHCl
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: 4,5,6,7-Tetrahydro-1H-pyrazolo[4,3-c]pyridine DiHCl
CAS number: 157327-44-1

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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: C6H11Cl2N3
Molecular weight: 196.1

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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 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：

  4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine dihydrochloride 生成 4,5,6,7-四氢-1H-吡唑并[4,3-c]吡啶
  参考文献：
  名称：

  [EN] CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS
  [FR] ANTAGONISTES DES RECEPTEURS DU PEPTIDE RELIE AU GENE DE LA CALCITONINE

  摘要：

  本发明涉及化合物的公式（I），作为降钙素基因相关肽受体（“CGRP受体”）的拮抗剂，包括它们的药物组合物，识别它们的方法，使用它们的治疗方法以及它们在治疗神经源性血管舒张、神经源性炎症、偏头痛和其他头痛、热损伤、循环性休克、与绝经相关的潮红、气道炎症性疾病（如哮喘和慢性阻塞性肺病（COPD））以及其他可以通过拮抗CGRP受体来治疗的疾病的用途。

  公开号：

  WO2003104236A1
• 作为产物：
  描述：

  6,7-二氢-2H-吡唑并[4,3-c]吡啶-5(4h)-羧酸叔丁酯 在 三氟乙酸 、 盐酸 作用下， 以 水 为溶剂， 反应 1.0h， 以83%的产率得到4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine dihydrochloride
  参考文献：
  名称：

  [EN] CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS
  [FR] ANTAGONISTES DES RECEPTEURS DU PEPTIDE RELIE AU GENE DE LA CALCITONINE

  摘要：

  本发明涉及化合物的公式（I），作为降钙素基因相关肽受体（“CGRP受体”）的拮抗剂，包括它们的药物组合物，识别它们的方法，使用它们的治疗方法以及它们在治疗神经源性血管舒张、神经源性炎症、偏头痛和其他头痛、热损伤、循环性休克、与绝经相关的潮红、气道炎症性疾病（如哮喘和慢性阻塞性肺病（COPD））以及其他可以通过拮抗CGRP受体来治疗的疾病的用途。

  公开号：

  WO2003104236A1

文献信息

• APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS
  申请人：Chang Edcon

  公开号：US20090318425A1

  公开（公告）日：2009-12-24

  The present invention relates to apoptosis signal-regulating kinase 1 (“ASK1”) inhibiting compounds of the formula wherein the variables are as defined herein. The invention also relates to pharmaceutical compositions, kits and articles of manufacture comprising such compounds; methods and intermediates useful for making the compounds; and methods of using said compounds.

  本发明涉及一种抑制凋亡信号调节激酶1（“ASK1”）的化合物，其化学式如下所示，其中变量如本文所定义。该发明还涉及包括这些化合物的药物组合物、试剂盒和制造物品；制备这些化合物的有用中间体和方法；以及使用这些化合物的方法。
• Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same
  申请人：LegoChem Biosciences, Inc.

  公开号：US10961242B2

  公开（公告）日：2021-03-30

  The present invention relates to novel compounds as autotoxin inhibitors for treatment and prophylaxis of conditions or a disorder caused by autotaxin activation or increased concentration of lysophosphatidic acid, and also a pharmaceutical composition containing the same. The novel compounds of the present invention are autotoxin inhibitors, and by inhibiting the production of lysophosphatidic acid, they are useful for treatment or prophylaxis of cardiovascular disorder, cancer, metabolic disorder, kidney disorder, liver disorder, inflammatory disorder, nervous system disorder, respiratory system disorder, fibrotic disease, ocular disorder, cholestatic and other forms of chronic pruritus, or acute or chronic organ transplant rejection.

  本发明涉及作为自体毒素抑制剂的新型化合物，用于治疗和预防由自体毒素激活或溶血磷脂酸浓度升高引起的病症或紊乱，以及含有本发明的药物组合物。 本发明的新型化合物是自体毒素抑制剂，通过抑制溶血磷脂酸的产生，可用于治疗或预防心血管疾病、癌症、代谢紊乱、肾脏疾病、肝脏疾病、炎症性疾病、神经系统疾病、呼吸系统疾病、纤维化疾病、眼部疾病、胆汁淤积性和其他形式的慢性瘙痒症，或急性或慢性器官移植排斥反应。
• Synthesis of the Bicyclic Secondary Amines via Dimethylaminomethylene Ketones from 3-Pyrrolidone and 4-Piperidone
  作者：Hideto Fukui、Kiyoshi Inoguchi、Jun Nakano

  DOI：10.3987/com-01-s(k)25

  日期：——

  The reaction of N-protected 3-pyrrolidone and 4-piperidone with N,N-dimethylformamide dimethyl acetal gave the dimethylaminomethylene ketones, which reacted with several types of hydrazines, amidines, and guanidine to afford the secondary amines having fused ring system.
• 2,4-Diamino-8-quinazoline carboxamides as novel, potent inhibitors of the NAD hydrolyzing enzyme CD38: Exploration of the 2-position structure-activity relationships
  作者：David N. Deaton、Curt D. Haffner、Brad R. Henke、Michael R. Jeune、Barry G. Shearer、Eugene L. Stewart、J. Darren Stuart、John C. Ulrich

  DOI：10.1016/j.bmc.2018.03.021

  日期：2018.5

  Starting from 4-amino-8-quinoline carboxamide lead 1a and scaffold hopping to the chemically more tractable quinazoline, a systematic exploration of the 2-substituents of the quinazoline ring, utilizing structure activity relationships and conformational constraint, resulted in the identification of 39 novel CD38 inhibitors. Eight of these analogs were 10-100-fold more potent human CD38 inhibitors, including the single digit nanomolar inhibitor 1am. Several of these molecules also exhibited improved therapeutic indices relative to hERG activity. A representative analog 1r exhibited suitable pharmacokinetic parameters for in vivo animal studies, including moderate clearance and good oral bioavailability. These inhibitor compounds will aid in the exploration of the enzymatic functions of CD38, as well as furthering the study of the therapeutic implications of NAD enhancement in metabolic disease models. (C) 2018 Elsevier Ltd. All rights reserved.
• NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME
  申请人：LegoChem Biosciences, Inc.

  公开号：US20200407350A1

  公开（公告）日：2020-12-31

  The present invention relates to novel compounds as autotoxin inhibitors for treatment and prophylaxis of conditions or a disorder caused by autotaxin activation or increased concentration of lysophosphatidic acid, and also a pharmaceutical composition containing the same. The novel compounds of the present invention are autotoxin inhibitors, and by inhibiting the production of lysophosphatidic acid, they are useful for treatment or prophylaxis of cardiovascular disorder, cancer, metabolic disorder, kidney disorder, liver disorder, inflammatory disorder, nervous system disorder, respiratory system disorder, fibrotic disease, ocular disorder, cholestatic and other forms of chronic pruritus, or acute or chronic organ transplant rejection.