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

Uses

1-Benzyl 4-tert-Butyl 2-(Hydroxymethyl)-piperazine-1,4-dicarboxylate is used in the preparation of pyrimidine derivatives as Src-family protein tyrosine kinase inhibitor compounds.

Upstream product

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

Downstream Products

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

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).