Benzimidazole, 4,5,6-trichloro-1-beta-D-ribofuranosyl-

Base Information

• Chemical Name: Benzimidazole, 4,5,6-trichloro-1-beta-D-ribofuranosyl-
• CAS No.: 53-82-7
• Molecular Formula: C12H11Cl3N2O4
• Molecular Weight: 353.5857
• DSSTox Substance ID: DTXSID90967471
• Nikkaji Number: J638.472B
• Wikidata: Q82950067

Synonyms:53-82-7;Trichlor-ribosyl-benzimidazole;Benzimidazole, 4,5,6-trichloro-1-beta-D-ribofuranosyl-;(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(4,5,6-trichloro-1H-benzo[d]imidazol-1-yl)tetrahydrofuran-3,4-diol;TRB;C12-H11-Cl3-N2-O4;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4,5,6-trichlorobenzimidazol-1-yl)tetrahydrofuran-3,4-diol;DTXSID90967471;4,5,6-Trichlorobenzimidazole riboside;4,5,6-Trichloro-1-pentofuranosyl-1H-benzimidazole;4,5,6-Trichloro-1-.beta.-D-ribofuranosylbenzimidazole;4,5,6-Trichloro-1-beta-D-ribofuranosyl-1H-benzimidazole

Chemical Property of Benzimidazole, 4,5,6-trichloro-1-beta-D-ribofuranosyl-

Chemical Property:

• Vapor Pressure: 9.84E-17mmHg at 25°C
• Boiling Point: 629.9°Cat760mmHg
• PKA: 13.16±0.70(Predicted)
• Flash Point: 334.7°C
• Density: 1.94g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 351.978440
• Heavy Atom Count: 21
• Complexity: 394

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C2C(=C(C(=C1Cl)Cl)Cl)N=CN2C3C(C(C(O3)CO)O)O
• Isomeric SMILES: C1=C2C(=C(C(=C1Cl)Cl)Cl)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
• Recent ClinicalTrials: Low Dose Heparin Factorial Trial

Technology Process of Benzimidazole, 4,5,6-trichloro-1-beta-D-ribofuranosyl-

There total 1 articles about Benzimidazole, 4,5,6-trichloro-1-beta-D-ribofuranosyl- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2,3,5-tri-O-acetyl-α-D-ribofuranosyl chloride (105499-44-3) → (1Ξ)-1-(4,5,6-trichloro-benzimidazol-1-yl)-D-1,4-anhydro-ribitol (6772-21-0,53-82-7)

Guidance literature:

With xylene; Behandeln des Reaktionsprodukts mit methanol. NH₃;

upstream raw materials:

2,3,5-tri-O-acetyl-α-D-ribofuranosyl chloride

Refernces

Identification of potent pyrazolo[4,3-h]quinazoline-3-carboxamides as multi-cyclin-dependent kinase inhibitor

10.1021/jm901710h

The study focuses on the identification and development of potent pyrazolo[4,3-h]quinazoline-3-carboxamides as inhibitors of multiple cyclin-dependent kinases (CDKs), which are enzymes that play a crucial role in regulating the cell cycle and have been implicated in cancer development. The researchers aimed to create compounds that could inhibit CDKs both in vitro and in vivo, with improved inhibitory activity, physical properties, and pharmacokinetic behavior compared to the initial hit compound. The study led to the identification of compound 59, which showed significant in vivo efficacy in an ovarian carcinoma xenograft model and could be a potential antineoplastic agent. The chemicals used in the study were primarily a series of pyrazolo[4,3-h]quinazoline derivatives, including the initial hit compound 1 and the optimized compound 59, along with various reagents and conditions for their synthesis and testing. These chemicals served the purpose of inhibiting the activity of CDKs, which are targets for antitumor therapy, and were evaluated for their ability to modulate CDK activity, affect cell cycle progression, and inhibit tumor growth.

Synthesis of Quinazoline and Quinazolinone Derivatives via Ligand-Promoted Ruthenium-Catalyzed Dehydrogenative and Deaminative Coupling Reaction of 2-Aminophenyl Ketones and 2-Aminobenzamides with Amines

10.1021/acs.orglett.9b01082

This study explores a ruthenium-catalyzed ligand-promoted coupling reaction for the synthesis of quinazoline and quinazolinone derivatives. The in situ formed ruthenium catalytic system ([Ru]/L) selectively catalyzes the dehydrogenative coupling of 2-aminophenyl ketones with amines to quinazoline products and the deaminogenic coupling of 2-aminobenzamides with amines to quinazolinone products. This approach is highly efficient and avoids reactive reagents and toxic byproducts. Quinazolines and quinazolinones are nitrogen heterocyclic scaffolds with various pharmacological activities used as therapeutics for diseases such as benign prostatic hyperplasia, cancer, and antimicrobial infections. This study optimizes the reaction conditions using a cationic ruthenium hydride complex and a catechol ligand, demonstrating broad substrate scope and scalability. Mechanistic insights indicate the formation of an imine intermediate that undergoes isomerization, cyclization, and dehydrogenation steps to generate the final product.

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