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N-1-BOC-4-CBZ-2-PIPERAZINECARBOXYLIC ACID METHYL ESTER is a chemical compound that serves as a key intermediate in the synthesis of various pharmaceuticals. It is a derivative of piperazine, a heterocyclic organic compound known for its diverse biological activities. This specific compound features a BOC (tert-butoxycarbonyl) protecting group on the nitrogen atom of the piperazine ring and a CBZ (carbobenzyloxy) protecting group on the amine group, which enhances its versatility as a building block for the development of novel drug candidates.

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  • 129799-14-0 Structure
  • Basic information

    1. Product Name: N-1-BOC-4-CBZ-2-PIPERAZINECARBOXYLIC ACID METHYL ESTER
    2. Synonyms: N-1-BOC-4-CBZ-2-PIPERAZINECARBOXYLIC ACID METHYL ESTER;4-Benzyl 1-tert-butyl 2-Methyl piperazine-1,2,4-tricarboxylate
    3. CAS NO:129799-14-0
    4. Molecular Formula: C19H26N2O6
    5. Molecular Weight: 378.41954
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 129799-14-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: N-1-BOC-4-CBZ-2-PIPERAZINECARBOXYLIC ACID METHYL ESTER(CAS DataBase Reference)
    10. NIST Chemistry Reference: N-1-BOC-4-CBZ-2-PIPERAZINECARBOXYLIC ACID METHYL ESTER(129799-14-0)
    11. EPA Substance Registry System: N-1-BOC-4-CBZ-2-PIPERAZINECARBOXYLIC ACID METHYL ESTER(129799-14-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 129799-14-0(Hazardous Substances Data)

129799-14-0 Usage

Uses

Used in Pharmaceutical Industry:
N-1-BOC-4-CBZ-2-PIPERAZINECARBOXYLIC ACID METHYL ESTER is used as a key intermediate for the synthesis of novel drug candidates, particularly in the development of potential treatments for various diseases and medical conditions. Its unique structure, including the BOC and CBZ protecting groups, allows for the creation of pharmaceutical compounds with specific therapeutic properties.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, N-1-BOC-4-CBZ-2-PIPERAZINECARBOXYLIC ACID METHYL ESTER is utilized as a versatile building block for the design and synthesis of new chemical entities. Its presence in the molecular structure can influence the pharmacokinetic and pharmacodynamic properties of the resulting compounds, making it an essential component in the development of innovative therapeutic agents.
Used in Drug Discovery and Development:
N-1-BOC-4-CBZ-2-PIPERAZINECARBOXYLIC ACID METHYL ESTER is employed as a crucial component in drug discovery and development processes. Its ability to be incorporated into various molecular frameworks allows researchers to explore its potential in treating a wide range of medical conditions. N-1-BOC-4-CBZ-2-PIPERAZINECARBOXYLIC ACID METHYL ESTER's protective groups can be selectively removed or modified during the synthesis process, enabling the creation of diverse pharmaceutical agents with tailored properties.

Check Digit Verification of cas no

The CAS Registry Mumber 129799-14-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,9,7,9 and 9 respectively; the second part has 2 digits, 1 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 129799-14:
(8*1)+(7*2)+(6*9)+(5*7)+(4*9)+(3*9)+(2*1)+(1*4)=180
180 % 10 = 0
So 129799-14-0 is a valid CAS Registry Number.

129799-14-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Benzyl 1-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate

1.2 Other means of identification

Product number -
Other names 4-O-benzyl 1-O-tert-butyl 2-O-methyl piperazine-1,2,4-tricarboxylate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:129799-14-0 SDS

129799-14-0Relevant articles and documents

MORPHOLINYL, PIPERAZINYL, OXAZEPANYL AND DIAZEPANYL O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS

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Paragraph 00219, (2020/07/04)

Described herein are compounds represented by formula (I), or a pharmaceutically acceptable salt thereof, pharmaceutical compositions comprising the same and methods of preparing and using the same. The variables Ar, X, R1, R3, R4, Y1, Y2, m, n, and p are as defined herein.

Pan-Tropic Entry Inhibitors

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Page/Page column 46, (2019/10/15)

This disclsore relates to compounds according to Formula (I), salts, prodrugs and pharmaceutical formulation comprising the compound are provided herein for the treatment of CXCR4 and CCR5 related conditions. The conditions may include viral infections, a

SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS

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, (2017/05/27)

There are provided inter alia multisubstituted aromatic compounds useful for the inhibition of thrombin and/or kallikrein, which compounds include substituted pyrazolyl. There are additionally provided pharmaceutical compositions. There are additionally provided methods of treating and preventing certain diseases or disorders, which diseases or disorders are amenable to treatment or prevention by the inhibition of thrombin and/or kallikrein.

A systematic approach to diverse, lead-like scaffolds from α,α-disubstituted amino acids

Foley, Daniel J.,Doveston, Richard G.,Churcher, Ian,Nelson, Adam,Marsden, Stephen P.

supporting information, p. 11174 - 11177 (2015/07/07)

A powerful strategy for the efficient lead-oriented synthesis of novel molecular scaffolds is demonstrated. Twenty two scaffolds were prepared from just four α-amino acid-derived building blocks and a toolkit of six connective reactions. Importantly, each individual scaffold has the ability to specifically target lead-like chemical space.

Discovery of novel N-aryl piperazine CXCR4 antagonists

Zhao, Huanyu,Prosser, Anthony R.,Liotta, Dennis C.,Wilson, Lawrence J.

supporting information, p. 4950 - 4955 (2015/10/28)

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).

NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE

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Page/Page column 47, (2010/07/04)

The present invention relates to piperazine derivatives that act as inhibitors of stearoyl-CoA desaturase. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and to methods of treatment using the compounds.

Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds

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Page 42, (2010/02/07)

The present invention relates to novel cinnamide compounds that are useful for treating inflammatory and immune diseases and cerebral vasospasm, to pharmaceutical compositions containing these compounds, and to methods of inhibiting inflammation or suppressing immune response in a mammal.

Trisubstituted piperazine compounds, their production and use

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, (2008/06/13)

Novel trisubstituted piperazine compounds of the formula (I) and pharmaceutically acceptable salts thereof: STR1 wherein R1, R2 and R3 are lower alkyl groups; A is a phenyl group, a hydrocarbon group formed by condensation of two or three 5- to 8-membered rings, a monocyclic 5- to 8-membered heterocyclic group containing 1 to 3 hetero-atoms selected from the class consisting of nitrogen, oxygen and sulfur, a dicyclic heterocyclic group formed by condensation of a benzene ring with a 5- to 8-membered hetero-ring containing 1 to 3 hetero-atoms selected from the class consisting of nitrogen, oxygen and sulfur, a tricyclic heterocyclic group formed by condensation of (i) a 5- to 8-membered hetero-ring containing 1 to 3 hetero-atoms selected from the class consisting of nitrogen, oxygen and sulfur, and (ii) a benzene ring, and (iii) a benzene ring or a 5- to 8-membered hetero-ring containing 1 to 3 hetero-atoms selected from the class consisting of nitrogen, oxygen and sulfur, or a styryl group of the formula: Ar--CR4 =CR5 -- wherein Ar is a phenyl group, and R4 and R5 are independently hydrogen or a lower alkyl group, the phenyl group represented by A or Ar, the hydrocarbon group represented by A, the monocyclic 5- to 8-membered heterocyclic group represented by A, the dicyclic heterocyclic group represented by A and the tricyclic heterocyclic group represented by A being unsubstituted or substituted by one or more substituents selected from the class consisting of a lower alkyl group, a halo lower alkyl group, a hydroxy lower alkyl group, an acyloxy lower alkyl group, a lower alkoxy lower alkyl group, a lower alkoxy group, a halo lower alkoxy group, a lower alkoxycarbonyl lower alkoxy group, a lower alkenyloxy group, aralkyloxy group, a lower alkoxy lower alkoxy group, a lower alkoxycarbonyl group, carboxyl group, carbamoyl group, an N,N-di-lower alkylcarbamoyl group, an N-lower alkylcarbamoyl group, halo group, cyano group, nitro group, hydroxy group, acyloxy group, amino group, a lower alkylsulfonylamino group, acylamino group, a lower alkoxycarbonylamino group, acyl group, mercapto group, a lower alkylthio group, a lower alkylsulfinyl group, a lower alkylsulfonyl group and oxo group; X is methylene group, carbonyl group or thiocarbonyl group and G is a group of the formula: --CH2 --n Z--R6 wherein n is an integer of 0 to 2, Z is a chemical bond, O, S, SO, SO2, CO, COO, OCO, OCONR7, CONR7 or NR7 (wherein R7 is hydrogen, a lower alkyl group, a lower haloalkyl group, a lower alkenyl group or a lower alkoxycarbonyl group), and R6 is hydrogen, a lower alkyl group, a lower haloalkyl group or a lower alkenyl group, provided that, when n is O and Z is chemical bond, R6 is not hydrogen or a lower alkyl group are useful as a platelet activating factor antagonist.

Trisubstituted piperazine compounds, their production and use

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, (2008/06/13)

Novel trisubstituted piperazine compounds of the formula (I): wherein A is an optionally substituted phenyl group, an optionally substituted condensed polycyclic hydrocarbon group, an optionally substituted hetero-cyclic group or a styryl group of the formula:, Ar - CR4 = CR5 - wherein Ar is an optionally substituted phenyl group, and R4 and R5 are independently hydrogen or a lower alkyl group, X is methylene group, carbonyl group or thiocarbonyl group, G is a group of the formula:, nZ-R6 wherein n is an integer of 0 to 2, Z is a chemical bond, O, S, SO, SO2, CO, COO, CONR7 or NR7 (wherein R7 is hydrogen, a lower alkyl group, a lower haloalkyl group, a lower alkenyl group or a lower alkoxycarbonyl group), and R6 is hydrogen, a lower alkyl group, a lower haloalkyl group or a lower alkenyl group, provided that, when n is 0 and Z is chemical bond, R6 is not hydrogen or a lower alkyl group, and R1, R2 and R3 are independently a lower alkyl group, and salts thereof, are useful as a platelet activating factor antagonist.

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