1-三苯甲基-1H-咪唑-4-甲醇 | 33769-07-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 中文名称: 1-三苯甲基-1H-咪唑-4-甲醇
• 英文名称: 1-triphenylmethyl-4-(hydroxymethyl)imidazole
• 英文别名: 4-(hydroxymethyl)-1-(triphenylmethyl)imidazole；1-Trityl-1H-imidazole-4-methanol；(1-tritylimidazol-4-yl)methanol
• CAS: 33769-07-2
• 化学式: C₂₃H₂₀N₂O
• mdl: MFCD02179553
• 分子量: 340.425
• InChiKey: DVQYFYUODSFBFS-UHFFFAOYSA-N

物化性质

• 熔点：
  226-232
• 沸点：
  516.1±45.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.086
• 拓扑面积：
  38
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2933290090
• 安全说明：
  S26,S36/37/39
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Trityl-1H-imidazole-4-methanol
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: 1-Trityl-1H-imidazole-4-methanol
CAS number: 33769-07-2

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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: C23H20N2O
Molecular weight: 340.4

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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.

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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：

  1-三苯甲基-1H-咪唑-4-甲醇 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以99%的产率得到4-(氯甲基)-1-(三苯基甲基)-1H-咪唑
  参考文献：
  名称：

  靶向 GRP 受体：新的铃蟾肽非肽拮抗剂的设计、合成和初步生物学表征

  摘要：

  我们报告了胃泌素释放肽受体 (GRP-R) 的非肽配体新小型文库的合理设计、合成和体外初步评估，能够在纳摩尔浓度范围内拮抗其天然配体铃蟾肽 (BN) . GRP-R 是一种跨膜 G 蛋白偶联受体，可促进癌细胞增殖。GRP-R 在不同人类癌细胞系的表面过表达，是选择性递送抗癌药物和诊断设备到肿瘤细胞的理想选择。非肽 BN 类似物的设计极具挑战性的是 GRP-R 的 3D 结构不可用，许多膜结合受体就是这种情况。因此，GRP-R 配体的设计必须基于其天然配体 BN 和 GRP 的结构。 我们最近通过 NMR 绘制了 BN 结合表位，在这里我们利用相同的光谱结合 MD，来定义生物膜附近的 BN 构象，在那里与 GRP-R 发生相互作用。获得的结构信息用于鉴定刚性C-半乳糖苷支架，该支架能够以合适的方式支持模拟 BN 关键残基侧链的药效基团，以与 GRP-R 结合。 我们的 BN 拮抗剂代表了用于合理设计和合成

  DOI：

  10.1016/j.bioorg.2021.104739
• 作为产物：
  描述：

  三苯基氯甲烷 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-三苯甲基-1H-咪唑-4-甲醇
  参考文献：
  名称：

  Inhibitors of protein isoprenyl transferases

  摘要：

  具有以下公式的化合物或其药学上可接受的盐，其中R1为(a)氢，(b)较低的烷基，(c)烯基，(d)烷氧基，(e)硫代烷氧基，(f)卤素，(g)卤代烷基，(h)芳基-L2—，以及(i)杂环-L2—；R2从(a)中选择，(b) -C(O)NH-CH(R14)-C(O)OR15，(c)中选择，(d) -C(O)NH-CH(R14)-C(O)NHSO2R16，(e) -C(O)NH-CH(R14)-四唑基，(f) -C(O)NH-杂环，以及(g) -C(O)NH-CH(R14)-C(O)NR17R18；R3为杂环，芳基，取代或未取代的环烷基；R4为氢，较低烷基，卤代烷基，卤素，芳基，芳基烷基，杂环基，或(杂环)烷基；L1为空缺或从(a) -L4-N(R5)-L5-，(b) -L4-O-L5-，(c) -L4-S(O)n-L5-，(d) -L4-L6-C(W)-N(R5)-L5-，(e) -L4-L6-S(O)m-N(R5)-L5-，(f) -L4-N(R5)-C(W)-L7-L5-，(g) -L4-N(R5)-S(O)p-L7-L5-，(h)可选择取代的烷基，(i)可选择取代的烯基，以及(j)可选择取代的炔基是蛋白异戊二烯转移酶的抑制剂。还公开了蛋白异戊二烯转移酶抑制组合物和抑制蛋白异戊二烯转移酶的方法。

  公开号：

  US20020193596A1

文献信息

• Inhibitors of farnesyl-protein transferase
  申请人：Merck & Co., Inc.

  公开号：US06001835A1

  公开（公告）日：1999-12-14

  The present invention is directed to compounds which inhibit farnesyl-protein transferase (FTase) and the farnesylation of the oncogene protein Ras. The invention is further directed to chemotherapeutic compositions containing the compounds of this invention and methods for inhibiting farnesyl-protein transferase and the farnesylation of the oncogene protein Ras.

  本发明涉及抑制法尼基-蛋白转移酶（FTase）和致癌基因蛋白Ras的法尼醇化的化合物。该发明进一步涉及含有本发明化合物的化疗组合物以及用于抑制法尼基-蛋白转移酶和致癌基因蛋白Ras的法尼醇化的方法。
• Synthesis and antiproliferatory activity of ruthenium complexes containing N -heterocyclic carboxylates
  作者：David C. Kennedy、Brian R. James

  DOI：10.1016/j.inoche.2017.02.011

  日期：2017.4

  Abstract Solvates of the complexes Ru 2 Cl(pic) 4 (EtOH) ( 2 ), Ru(Im-CO 2 ) 3 ( 3 ), and Ru(Im-CO 2 )(Im-CO 2 H)Cl 2 ( 4 ), were synthesized from reaction of RuCl 3 ·3H 2 O or K 3 [RuCl 6 ] with the N -heterocyclic carboxylic acids pyridine-2-carboxylic acid (picolinic acid, Hpic), and imidazole-4-carboxylic acid (Im-CO 2 H). Crystals of 2 – 4 could not be grown and hence characterization was done

  摘要 配合物 Ru 2 Cl(pic) 4 (EtOH) ( 2 )、Ru(Im-CO 2 ) 3 ( 3 ) 和 Ru(Im-CO 2 )(Im-CO 2 H)Cl 2 ( 4 ) 的溶剂化物)，由 RuCl 3 ·3H 2 O 或 K 3 [RuCl 6 ] 与 N-杂环羧酸吡啶-2-羧酸（吡啶甲酸，Hpic）和咪唑-4-羧酸（Im- CO 2 H)。2-4 的晶体无法生长，因此通过元素分析、NMR、IR 和电导率数据进行表征；2 和 4 在体外对人乳腺癌细胞系的抗增殖活性进行了测试，但活性低于例如我们之前研究的含有双咪唑或 4,4'-联咪唑的 Ru 复合物 [参见 Can. J.化学。89 (2011) 948]。与第三个潜在配体，3-硝基-1,2,4-三唑-5-羧酸（缩写为HCANT）的初步工作，
• Method of treating cancer
  申请人：——

  公开号：US20030220241A1

  公开（公告）日：2003-11-27

  The present invention relates to methods of treating cancer using a combination of a compound which is a PSA conjugate and a compound which is a inhibitor of prenyl-protein transferase, which methods comprise administering to said mammal, either sequentially in any order or simultaneously, amounts of at least two therapeutic agents selected from a group consisting of a compound which is a PSA conjugate and a compound which is a inhibitor of prenyl-protein transferase. The invention also relates to methods of preparing such compositions.

  本发明涉及使用一种PSA共轭物和一种前脂蛋白转移酶抑制剂的组合治疗癌症的方法，该方法包括向所述哺乳动物施用来自以下组中选择的至少两种治疗剂的量，所述组包括一种PSA共轭物和一种前脂蛋白转移酶抑制剂，所述治疗剂可以顺序给药或同时给药。该发明还涉及制备这种组合物的方法。
• BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1422228A1

  公开（公告）日：2004-05-26

  The present invention provides a novel benzazepine derivative represented by formula : wherein, R1 is a 5- or 6-membered aromatic ring, R2 is lower alkyl group, etc., Y is an optionally substituted imino group, ring A and ring B are independently an optionally substituted aromatic ring, W is formula -W1-X2-W2- (W1 and W2 are independently S(O)m1 (m1 is 0, 1 or 2), etc., and X2 is an optionally substituted alkylene groupetc. ), a preparation method and use thereof.

  本发明提供了一种新型的苯并氮杂环衍生物，其由以下公式表示： 其中，R1是一个5-或6-成员的芳香环，R2是低级烷基团等，Y是可选地取代的亚氨基，环A和环B是独立地选自一个可选地取代的芳香环，W是公式-W1-X2-W2-（W1和W2是独立地为S(O)m1（m1是0、1或2）等，X2是一个可选地取代的亚烷基团等），其制备方法及其用途。
• [EN] HETEROARYL RHEB INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE RHEB À BASE D'HÉTÉROARYLE ET LEURS UTILISATIONS
  申请人：NAVITOR PHARM INC

  公开号：WO2018191146A1

  公开（公告）日：2018-10-18

  The present invention provides compounds, compositions thereof, and methods of using the same. Compositions comprising a compound of this invention or a pharmaceutically acceptable derivative thereof and a pharmaceutically acceptable carrier, adjuvant, or vehicle. The amount of the compound in compositions of this invention is such that it is effective to measurably inhibit Rheb, in a biological sample or in a patient.

  本发明提供了化合物、其组合物以及使用方法。包括本发明的化合物或其药学上可接受的衍生物与药学上可接受的载体、辅料或载体组成的组合物。本发明组合物中的化合物的量使其能够在生物样本或患者中明显抑制Rheb。