317365-33-6

Basic information

• Product Name: 1-BENZYL 4-TERT-BUTYL 2-(HYDROXYMETHYL)PIPERAZINE-1,4-DICARBOXYLATE
• Synonyms: 1-BENZYL 4-TERT-BUTYL 2-(HYDROXYMETHYL)PIPERAZINE-1,4-DICARBOXYLATE;1-Benzyl 4-tert-Butyl 2-(Hydroxymethyl)piperazine-1,4-dicarb
• CAS NO: 317365-33-6
• Molecular Formula: C₁₈H₂₆N₂O₅
• Molecular Weight: 350.412
• Mol File: 317365-33-6.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 480.5±30.0 °C(Predicted)
• Appearance: /
• Density: 1 +-.0.06 g/cm3(Predicted)
• PKA: 14.97±0.10(Predicted)
• CAS DataBase Reference: 1-BENZYL 4-TERT-BUTYL 2-(HYDROXYMETHYL)PIPERAZINE-1,4-DICARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-BENZYL 4-TERT-BUTYL 2-(HYDROXYMETHYL)PIPERAZINE-1,4-DICARBOXYLATE(317365-33-6)
• EPA Substance Registry System: 1-BENZYL 4-TERT-BUTYL 2-(HYDROXYMETHYL)PIPERAZINE-1,4-DICARBOXYLATE(317365-33-6)

Safety Data

• Hazardous Substances Data: 317365-33-6(Hazardous Substances Data)

Usage

Description

1-Benzyl 4-tert-Butyl 2-(Hydroxymethyl)piperazin-1,4-dicarboxylate is a complex organic compound with a unique molecular structure. It is characterized by its benzyl and tert-butyl groups, as well as its hydroxymethyl and piperazine moieties. 1-BENZYL 4-TERT-BUTYL 2-(HYDROXYMETHYL)PIPERAZINE-1,4-DICARBOXYLATE is known for its potential applications in various fields, particularly in the pharmaceutical industry, due to its ability to inhibit specific protein tyrosine kinases.

Uses

Used in Pharmaceutical Industry:
1-Benzyl 4-tert-Butyl 2-(Hydroxymethyl)piperazin-1,4-dicarboxylate is used as a key intermediate compound in the synthesis of pyrimidine derivatives. These derivatives are known to possess Src-family protein tyrosine kinase inhibitory properties, which are crucial in the development of targeted therapies for various diseases, including cancer.
1-BENZYL 4-TERT-BUTYL 2-(HYDROXYMETHYL)PIPERAZINE-1,4-DICARBOXYLATE's ability to inhibit Src-family protein tyrosine kinases makes it a valuable asset in the development of novel therapeutic agents. Src-family kinases are often overexpressed or hyperactivated in various types of cancer, contributing to tumor growth, invasion, and metastasis. By inhibiting these kinases, the compound can potentially slow down or halt the progression of cancer, offering a new avenue for treatment.
In addition to its role in the development of anticancer agents, 1-Benzyl 4-tert-Butyl 2-(Hydroxymethyl)piperazin-1,4-dicarboxylate may also find applications in other areas of the pharmaceutical industry, such as the development of drugs for autoimmune diseases, inflammatory conditions, and other disorders where protein tyrosine kinases play a significant role.

Upstream product

• 935544-47-1 tert-butyl 3-oxotetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxylate 
• 501-53-1 benzyl chloroformate 
• 100-51-6 benzyl alcohol 
• 301673-16-5 tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate 
• 3022-15-9 piperazine-2-carboxylic acid dihydrochloride 
• 24424-99-5 di-tert-butyl dicarbonate 
• 143540-05-0 2-hydroxymethylpiperazine-1,4-dicarboxylic acid di-tert-butyl ester 
• 181955-79-3 N,N'-di-tert-butyloxycarbonylpiperazine-2-carboxylic acid 
• 126937-42-6 piperazine-1,2,4-tricarboxylic acid 1-benzyl ester 4-tert-butyl ester 2-methyl ester 
• 2762-32-5 piperazine-2-carboxylic acid 
• 58632-95-4 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile 
• 126937-41-5 1-(benzyloxycarbonyl)-4-(tert-butoxycarbonyl)-2-piperazinecarboxylic acid 
• 128019-59-0 piperazine-1,3-dicarboxylic acid 1-tert-butyl ester 

Downstream Products

• 317829-98-4 1-benzyloxycarbonyl-4-(tert-butyloxycarbonyl)piperazine-2-carboxaldehyde 
• 317365-34-7 1-(Benzyloxycarbonyl)-2-aminomethyl-4-(tert-butyloxycarbonyl)-piperazine 
• 2158302-00-0 C₁₉H₂₅N₃O₄ 

Relevant articles and documents

Heterocyclic compound, pharmaceutical composition and application

The invention discloses a heterocyclic compound which is a heterocyclic compound shown as a formula I, a pharmaceutically acceptable salt, a stereoisomer, a tautomer, a hydrate, a solvate, a metabolite or a prodrug thereof. The heterocyclic compound can be used for preparing medicines for treating and/or preventing cancers related to KRAS G12C mutation. The invention also discloses a pharmaceutical composition containing the heterocyclic compound, and application of the compound shown in the formula I, or pharmaceutically acceptable salt, stereoisomer, tautomer, hydrate, solvate, metabolite, prodrug or pharmaceutical composition thereof in preparation of drugs.

CHEMOKINE CXCR4 RECEPTOR MODULATORS AND USES RELATED THERETO

The disclosure relates to chemokine CXCR4 receptor modulators and uses related thereto. The receptor modulators can be formulated to form pharmaceutical compositions comprising the disclosed compounds or pharmaceutically acceptable salts or prodrugs thereof. The compositions may be used for managing CXCR4 related conditions, typically prevention or treatment of viral infections abnormal cellular proliferation, retinal degeneration, inflammatory diseases, or as an immunostimulant or immunosuppressant or for managing cancer and may be administered with another active ingredient such as an antiviral agent or chemotherapeutic agent.

Discovery of novel N-aryl piperazine CXCR4 antagonists

A novel series of CXCR4 antagonists with substituted piperazines as benzimidazole replacements is described. These compounds showed micromolar to nanomolar potency in CXCR4-mediated functional and HIV assays, namely inhibition of X4 HIV-1IIIB virus in MAGI-CCR5/CXCR4 cells and inhibition of SDF-1 induced calcium release in Chem-1 cells. Preliminary SAR investigations led to the identification of a series of N-aryl piperazines as the most potent compounds. Results show SAR that indicates type and position of the aromatic ring, as well as type of linker and stereochemistry are significant for activity. Profiling of several lead compounds showed that one (49b) reduced susceptibility towards CYP450 and hERG, and the best overall profile when considering both SDF-1 and HIV potencies (6-20 nM).