4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine dihydrochloride | 62002-31-7

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine dihydrochloride
• 英文别名: 1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride；4,5,6,7-Tetrahydro-3H-imidazo[4,5-c]pyridine hydrochloride；4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;hydrochloride
• CAS: 62002-31-7
• 化学式: C₆H₉N₃*2ClH
• mdl: MFCD09999261
• 分子量: 196.079
• InChiKey: CHLFJSVTUQAGSC-UHFFFAOYSA-N

物化性质

• 溶解度：
  DMSO（微溶，超声处理），甲醇（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 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

• 危险等级：
  IRRITANT
• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4,5,6,7-Tetrahydro-1h-imidazol[4,5-c]-pyridine diHCl
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H319: Causes serious eye irritation
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: 4,5,6,7-Tetrahydro-1h-imidazol[4,5-c]-pyridine diHCl
CAS number: 62002-31-7

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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: C6H9N3.2ClH
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-imidazo[4,5-c]pyridine dihydrochloride 在 甲醇 、 N-碘代丁二酰亚胺 、 sodium hydride 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 45.0h， 生成 2-iodo-1-(2-trimethylsilanyl-ethoxymethyl)-1,4,6,7-tetrahydro-imidazo[4,5-c]pyridine-5-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  FUSED IMIDAZO-PIPERIDINE JAK INHIBITOR COMPOUND

  摘要：

  该发明提供了一个具有化学式1的化合物或其药用可接受的盐，可作为JAK抑制剂。该发明还提供了该化合物的晶体形式，包含该化合物的药物组合物，使用该化合物治疗适用于JAK抑制剂的疾病的方法，以及用于制备该化合物的过程和中间体。

  公开号：

  US20180311255A1
• 作为产物：
  描述：

  1H-咪唑[4,5-C]吡啶 在 盐酸 、 水 、 三乙胺 作用下， 反应 10.0h， 生成 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine dihydrochloride
  参考文献：
  名称：

  摘要：

  Reduction of-substituted [1,2,3]triazolo[4,5-c]pyridines with nickel-aluminum alloy in aqueous alkali gave 2-azaspinaceamines. Reduction of imidazo[4,5-c]pyridine and [1,2,3]triazolo[4,5-c]pyridine derivatives with formic acid in the presence of triethylamine resulted in formation of 5-formylspinaceamines and 2-azaspinaceamines. The 5-formyl group in the latter can be removed by acid hydrolysis. Unsubstituted 2-azaspinaceamine, an aza analog of natural spinaceamine, was synthesized for the first time.

  DOI：

  10.1023/a:1016350629395

文献信息

• 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：US20140371204A1

  公开（公告）日：2014-12-18

  The invention relates to compounds of Formula (I) wherein ring A, X, (R 1 ) n , R 2 , R 3 , R 4 , R 4′ , R 5 , n, and p are as described in the description; to pharmaceutically acceptable salts thereof, and to the use of such compounds as medicaments, especially as modulators of the CXCR3 receptor.

  本发明涉及式(I)化合物，其中环A、X、(R1)n、R2、R3、R4、R4′、R5、n和p如描述中所述；涉及药用可接受的盐，以及将此类化合物用作药物，尤其是用作CXCR3受体的调节剂。
• 4,5,6,7-Tetrahydroimidazo-[4,5-c]-pyridine derivatives
  申请人：Societa' Farmaceutici Italia S.p.A.

  公开号：US04141899A1

  公开（公告）日：1979-02-27

  New 4,5,6,7-tetrahydroimidazo-[4,5-c]-pyridine derivatives are disclosed, and more particularly derivatives of Formula I ##STR1## where R.sub.1 is hydrogen or an alkyl having from 1 to 4 carbon atoms; R.sub.2 is hydrogen, an alkyl having from 1 to 4 carbon atoms, a cycloalkyl having from 3 to 6 carbon atoms, phenyl or a heterocycle; R.sub.3 is hydrogen, a saturated or unsaturated straight or branched alkyl having from 1 to 6 carbon atoms, a cycloalkyl having from 3 to 6 carbon atoms, benzoyl or phenyl; and X is O, S or NR.sub.4 where R.sub.4 is hydrogen, an alkyl having from 1 to 4 carbon atoms, cyano, amino, nitro or acylamino; Or pharmaceutically acceptable acid addition salts thereof. Also disclosed is a process of preparing these compounds which comprises condensing an appropriate 4,5,6,7-tetrahydroimidazo-[4,5-c]-pyridine with an appropriate alkyl isocyanate, alkyl isothiocyanate or substituted S-methyl thiourea, preferably in a solvent such as ethanol, acetonitrile or dioxane, usually under reflux for from 4 to 12 hours. The products can be isolated by crystallization as free bases or as salts of pharmaceutically acceptable acids. The new compounds have proved to be well tolerated and to inhibit both the number of experimental ulcers and the gastric secretion in experimental animals. Thus, they should prove useful in the therapy of gastric and duodenal ulcers in man.

  新的4,5,6,7-四氢咪唑-[4,5-c]-吡啶衍生物已被披露，更具体地是公式I的衍生物##STR1##其中R.sub.1是氢或具有1至4个碳原子的烷基；R.sub.2是氢，具有1至4个碳原子的烷基，具有3至6个碳原子的环烷基，苯基或杂环；R.sub.3是氢，具有1至6个碳原子的饱和或不饱和直链或支链烷基，具有3至6个碳原子的环烷基，苯甲酰基或苯基；X是O，S或NR.sub.4，其中R.sub.4是氢，具有1至4个碳原子的烷基，氰基，氨基，硝基或酰胺基；或其药学上可接受的酸盐。还披露了一种制备这些化合物的方法，包括将适当的4,5,6,7-四氢咪唑-[4,5-c]-吡啶与适当的烷基异氰酸酯，烷基异硫氰酸酯或取代的S-甲基硫脲缩合，最好在乙醇，乙腈或二恶烷等溶剂中，通常在回流条件下进行4至12小时。产品可以通过结晶作为自由碱或药学上可接受的酸盐来分离。新化合物已被证明耐受良好，并且能够抑制实验动物中实验性溃疡的数量和胃分泌。因此，它们应该在治疗人类胃溃疡和十二指肠溃疡方面具有用处。
• [EN] 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES<br/>[FR] COMPOSÉS DE 4-(BENZOIMIDAZOL-2-YLE)-THIAZOLE ET DÉRIVÉS AZA ASSOCIÉS
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2013114332A1

  公开（公告）日：2013-08-08

  The invention relates to compounds of Formula (I) wherein ring A, X, (R1)n, R2, R3, R4, R4', R5, n, and p are as described in the description; to pharmaceutically acceptable salts thereof, and to the use of such compounds as medicaments, especially as modulators of the CXCR3 receptor.

  本发明涉及式(I)化合物，其中环A、X、(R1)n、R2、R3、R4、R4'、R5、n和p如描述中所述；涉及药用可接受的盐，以及将此类化合物用作药物，尤其是用作CXCR3受体的调节剂。
• [EN] N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES SUBSTITUÉS PAR N-(HÉTÉRO)ARYLE UTILES POUR LE TRAITEMENT DE MALADIES OU D'AFFECTIONS LIÉES AU SYSTÈME NERVEUX CENTRAL
  申请人：SHIRE INTERNAT GMBH

  公开号：WO2016042453A1

  公开（公告）日：2016-03-24

  The present invention provides compounds of formula (I): compositions comprising such compounds; the use of such compounds in therapy (for example in the treatment or prevention of a disease, disorder or condition ameliorated by inhibition of a dopamine transporter); and methods of treating patients with such compounds; wherein R1, R2, R3, R4, R9a, R9b, R9c, R9d, R9e, R9f, m, n, A, L and B are as defined herein.

  本发明提供了式(I)的化合物：包含这种化合物的组合物；在治疗中使用这种化合物（例如在通过抑制多巴胺转运体改善的疾病、紊乱或状况的治疗或预防）；以及使用这种化合物治疗患者的方法；其中R1、R2、R3、R4、R9a、R9b、R9c、R9d、R9e、R9f、m、n、A、L和B如本文所定义。
• DERIVATIVES OF N-[(1H-PYRAZOL-1-YL)ARYL]-1H-INDOLE OR 1H-INDAZOLE-3-CARBOXAMIDE, PREPARATION THEREOF AND APPLICATIONS THEREOF IN THERAPEUTICS
  申请人：Badorc Alain

  公开号：US20120277205A1

  公开（公告）日：2012-11-01

  The present invention relates to compounds corresponding to formula (I): in which: A represents a divalent aromatic radical; X represents a —CH— group or a nitrogen atom; R 1 represents a (C 1 -C 4 )alkyl or a (C 1 -C 4 )alkoxy; R 2 represents a group Alk; R 3 represents a hydroxyl or a group —NR 7 R 8 ; R 4 represents a hydrogen atom, a halogen atom, a cyano, a phenyl, a group Alk, a group OAlk or a group —NR 9 R 10 ; R 5 represents a hydrogen atom, a halogen atom or a group Alk; R 6 represents a hydrogen atom, a halogen atom, a cyano, a group —COOAlk or a —CONH 2 group.

  该发明涉及与式(I)对应的化合物：其中：A代表二价芳香基团；X代表一个—CH—基团或一个氮原子；R1代表(C1-C4)烷基或(C1-C4)烷氧基；R2代表一个烷基基团；R3代表一个羟基或一个基团—NR7R8；R4代表氢原子、卤素原子、氰基、苯基、烷基基团、氧烷基团或基团—NR9R10；R5代表氢原子、卤素原子或一个烷基基团；R6代表氢原子、卤素原子、氰基、基团—COOAlk或基团—CONH2。