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TERT-BUTYL 4-(4-IODOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE is a chemical compound characterized by its molecular formula C17H23IN2O2. It is a derivative of tetrahydro-1(2H)-pyrazinecarboxylic acid, featuring a tert-butyl group and an iodophenyl group attached to the tetrahydro pyrazine ring. TERT-BUTYL 4-(4-IODOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE is recognized for its unique structure and properties, which make it a potentially valuable building block in the development of new drugs and biologically active compounds. The presence of the iodine atom enhances its reactivity and broadens its potential applications in medicinal chemistry. However, it is essential to exercise proper handling and safety precautions when working with this compound.

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  • 151978-66-4 Structure
  • Basic information

    1. Product Name: TERT-BUTYL 4-(4-IODOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
    2. Synonyms: 4-(4-IODO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;1-TERT-BUTOXYCARBONYL-4(4-IODOPHENYL)PIPERAZINE;TERT-BUTYL 4-(4-IODOPHENYL)PIPERAZINE-1-CARBOXYLATE;TERT-BUTYL 4-(4-IODOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE;1-tert-Butoxycarbonyl-4-(4-iodophenyl)piperazine 97%;1-(tert-Butoxycarbonyl)-4-(4-iodophenyl)piperazine, tert-butyl 4-(4-iodophenyl)piperazine-1-carboxylate;4-(4-Iodophenyl)piperazine, N1-BOC protected;1-BOC-4-(4-Iodophenyl)piperazine
    3. CAS NO:151978-66-4
    4. Molecular Formula: C15H21IN2O2
    5. Molecular Weight: 388.24
    6. EINECS: N/A
    7. Product Categories: Aryl;Organohalides
    8. Mol File: 151978-66-4.mol
  • Chemical Properties

    1. Melting Point: 150 °C
    2. Boiling Point: 439.5 °C at 760 mmHg
    3. Flash Point: 219.6 °C
    4. Appearance: /
    5. Density: 1.481 g/cm3
    6. Vapor Pressure: 6.36E-08mmHg at 25°C
    7. Refractive Index: 1.584
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 2.93±0.10(Predicted)
    11. CAS DataBase Reference: TERT-BUTYL 4-(4-IODOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE(CAS DataBase Reference)
    12. NIST Chemistry Reference: TERT-BUTYL 4-(4-IODOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE(151978-66-4)
    13. EPA Substance Registry System: TERT-BUTYL 4-(4-IODOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE(151978-66-4)
  • Safety Data

    1. Hazard Codes:  Irritant:;
    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: 151978-66-4(Hazardous Substances Data)

151978-66-4 Usage

Uses

Used in Organic Synthesis:
TERT-BUTYL 4-(4-IODOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE is used as a reagent in organic synthesis for its ability to participate in various chemical reactions due to its unique structure. Its presence of an iodine atom and the tetrahydro pyrazine ring make it a versatile component in the creation of complex organic molecules.
Used in Pharmaceutical Research:
In the pharmaceutical industry, TERT-BUTYL 4-(4-IODOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE is used as a precursor in the development of new drugs. Its unique chemical properties allow it to be a key component in the synthesis of biologically active compounds, potentially leading to the discovery of novel therapeutic agents.
Used in Medicinal Chemistry:
TERT-BUTYL 4-(4-IODOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE is utilized as a building block in medicinal chemistry for its potential to contribute to the creation of new pharmaceuticals. The iodine atom and the tetrahydro pyrazine ring provide opportunities for further chemical modifications, which can enhance the compound's pharmacological properties and effectiveness in treating various diseases.

Check Digit Verification of cas no

The CAS Registry Mumber 151978-66-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,5,1,9,7 and 8 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 151978-66:
(8*1)+(7*5)+(6*1)+(5*9)+(4*7)+(3*8)+(2*6)+(1*6)=164
164 % 10 = 4
So 151978-66-4 is a valid CAS Registry Number.
InChI:InChI=1/C15H21IN2O2/c1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13/h4-7H,8-11H2,1-3H3

151978-66-4SDS

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 tert-Butyl 4-(4-iodophenyl)piperazine-1-carboxylate

1.2 Other means of identification

Product number -
Other names 4-(4-iodophenyl)-piperazine-1-carboxylic acid tert-butyl ester

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:151978-66-4 SDS

151978-66-4Relevant articles and documents

Design of highly potent urea-based, exosite-binding inhibitors selective for glutamate carboxypeptidase II

Tykvart, Jan,Schimer, Ji?í,Jan?a?ík, Andrej,Ba?inková, Jitka,Navrátil, Václav,Starková, Jana,?rámková, Karolína,Konvalinka, Jan,Majer, Pavel,?ácha, Pavel

, p. 4357 - 4363 (2015)

We present here a structure-aided design of inhibitors targeting the active site as well as exosites of glutamate carboxypeptidase II (GCPII), a prostate cancer marker, preparing potent and selective inhibitors that are more than 1000-fold more active tow

Efficient Microwave-Assisted Synthesis of Sonogashira-Coupled Perylene Monoimide Derivatives: Impact of Electron-Donating Groups on Optoelectronic Properties

Sharma, Vikas,Chandra, Falguni,Sahoo, Dhananjaya,Koner, Apurba L.

supporting information, p. 6901 - 6905 (2017/12/26)

An efficient microwave-assisted Sonogashira-coupling protocol for the synthesis of peri-functionalized perylene monoimide dye derivatives was developed. This method was found to be significantly faster than the conventional coupling method and provided pr

Multifunctional D2/D3 agonist D-520 with high in vivo efficacy: Modulator of toxicity of alpha-synuclein aggregates

Modi, Gyan,Voshavar, Chandrashekhar,Gogoi, Sanjib,Shah, Mrudang,Antonio, Tamara,Reith, Maarten E. A.,Dutta, Aloke K.

, p. 700 - 717 (2014/11/08)

We have developed a series of dihydroxy compounds and related analogues based on our hybrid D2/D3 agonist molecular template to develop multifunctional drugs for symptomatic and neuroprotective treatment for Parkinson"s disease (PD). The lead compound (-)-24b (D-520) exhibited high agonist potency at D2/D3 receptors and produced efficacious activity in the animal models for PD. The data from thioflavin T (ThT) assay and from transmission electron microscopy (TEM) analysis demonstrate that D-520 is able to modulate aggregation of alpha-synuclein (αSN). Additionally, coincubation of D-520 with αSN is able to reduce toxicity of preformed aggregates of αSN compared to control αSN alone. Finally, in a neuroprotection study with dopaminergic MN9D cells, D-520 clearly demonstrated the effect of neuroprotection from toxicity of 6-hydroxydopamine. Thus, compound D-520 possesses properties characteristic of multifunctionality conducive to symptomatic and neuroprotective treatment of PD.

Structural modifications of neuroprotective anti-parkinsonian (-)-N6-(2-(4-(biphenyl-4-yl)piperazin-1-yl)-ethyl)-N6-propyl-4,5,6, 7-tetrahydrobenzo[d]thiazole-2,6-diamine (D-264): An effort toward the improvement of in vivo efficacy of the parent molecule

Modi, Gyan,Antonio, Tamara,Reith, Maarten,Dutta, Aloke

, p. 1557 - 1572 (2014/03/21)

In our overall goal to develop multifunctional dopamine D 2/D3 agonist drugs for the treatment of Parkinson's disease (PD), we previously synthesized potent D3 preferring agonist D-264 (1a), which exhibited neuroprotective properties in two animal models of PD. To enhance the in vivo efficacy of 1a, a structure-activity relationship study was carried out. Competitive binding and [35S]GTPγS functional assays identified compound (-)-9b as one of the lead molecules with preferential D3 agonist activity (EC50(GTPγS); D3 = 0.10 nM; D2/D3 (EC50): 159). Compounds (-)-9b and (-)-8b exhibited high in vivo activity in two PD animal models, reserpinized and 6-hydroxydopamine (OHDA)-induced unilateral lesioned rats. On the other hand, 1a failed to show any in vivo activity in these models unless the compound was dissolved in 5-10% beta-hydroxy propyl cyclodextrin solution. Lead compounds exhibited appreciable radical scavenging activity. In vitro experiments with dopaminergic MN9D cells indicated neuroprotection by both 1a and (-)-9b from toxicity of MPP+.

Further delineation of hydrophobic binding sites in dopamine D 2/D3 receptors for N-4 substituents on the piperazine ring of the hybrid template 5/7-{[2-(4-aryl-piperazin-1-yl)-ethyl]-propyl-amino}-5, 6,7,8-tetrahydro-naphthalen-2-ol

Ghosh, Balaram,Antonio, Tamara,Gopishetty, Bhaskar,Reith, Maarten,Dutta, Aloke

experimental part, p. 5661 - 5674 (2010/10/01)

Here we report a structure-activity relationship (SAR) study of analogues of 5/7-{[2-(4-aryl-piperazin-1-yl)-ethyl]-propyl-amino}-5,6,7,8-tetrahydro- naphthalen-2-ol. Our SAR is focused on introduction of various substitutions in the piperazine ring of the hybrid template. The goal behind this study is to delineate the nature of the binding pocket for N-aryl substitution in the piperazine ring by observing the effect of various hydrophobic and other heteroaromatic substitutions on binding affinity (Ki), as measured with tritiated spiperone and HEK-293 cells expressing either D2 or D3 receptors. Functional activity of selected compounds was assessed with the GTPγS binding assay. Compound 8d was the most selective for the D3 receptor in the spiperone binding assay. An interesting similarity in binding affinity was observed between isoquinoline derivative D-301 and the 2-substituted pyridine derivative 8d, suggesting the importance of relative spatial relationships between the N-atom of the ligand and the molecular determinants of the binding pocket in D2/D3 receptors. Functional activity assays demonstrated high potency and selectivity of (+)-8a and (-)-28b (D2/D3 (ratio of EC50): 105 and 202, respectively) for the D3 receptor and both compounds were more selective compared to the reference drug ropinirole (D2/D3 (ratio of EC50): 29.5).

Development of (S)-N6-(2-(4-(isoquinolin-1-yl)piperazin-1-yl) ethyl)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]-thiazole-2,6-diamine and its analogue as a D3 receptor preferring agonist: Potent in vivo activity in Parkinson's disease anima

Ghosh, Balaram,Antonio, Tamara,Zhen, Juan,Kharkar, Prashant,Reith, Maarten E. A.,Dutta, Aloke K.

experimental part, p. 1023 - 1037 (2010/08/06)

Here we report structure - activity relationship study of a novel hybrid series of compounds where structural alteration of aromatic hydrophobic moieties connected to the piperazine ring and bioisosteric replacement of the aromatic tetralin moieties were

LIGANDS FOR IMAGING CARDIAC INNERVATION

-

Page/Page column 60, (2008/12/07)

Novel compounds that find use as imaging agents within nuclear medicine applications (PET imaging) for imaging of cardiac innervation are disclosed. These PET based radiotracers may exhibit increased stability, decreased NE release (thereby reducing side

PYRROLIDINE DERIVATIVES AS ERK INHIBITORS

-

Page/Page column 193, (2010/11/28)

Disclosed are the ERK inhibitors of Formula (1.0): and the pharmaceutically acceptable salts and solvates thereof. Q is a piperidine or piperazine ring that can have a bridge or a fused ring. The piperidine ring can have a double bond in the ring. All other substitutents are as defined herein. Also disclosed are methods of treating cancer using the compounds of Formula (1.0).

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