436851-80-8

Basic information

• Product Name: 1-Boc-4-(6-Aminopyrimidin-4-yl)piperazine
• Synonyms: 1-Boc-4-(6-Aminopyrimidin-4-yl)piperazine;tert-Butyl 4-(6-aminopyrimidin-4-yl)piperazine-1-carboxylate
• CAS NO: 436851-80-8
• Molecular Formula: C13H21N5O2
• Molecular Weight: 279.342
• Mol File: 436851-80-8.mol

Chemical Properties

• Boiling Point: 472.324°C at 760 mmHg
• Flash Point: 239.453°C
• Appearance: /
• Density: 1.222g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.572
• Storage Temp.: 2-8°C(protect from light)
• CAS DataBase Reference: 1-Boc-4-(6-Aminopyrimidin-4-yl)piperazine(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Boc-4-(6-Aminopyrimidin-4-yl)piperazine(436851-80-8)
• EPA Substance Registry System: 1-Boc-4-(6-Aminopyrimidin-4-yl)piperazine(436851-80-8)

Safety Data

• Hazardous Substances Data: 436851-80-8(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
1-Boc-4-(6-Aminopyrimidin-4-yl)piperazine is used as a building block in organic synthesis for the creation of various pharmaceutical compounds and drug candidates. Its unique structure and functional groups enable the formation of diverse chemical entities with potential therapeutic properties.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 1-Boc-4-(6-Aminopyrimidin-4-yl)piperazine is employed as a key intermediate in the synthesis of novel drug molecules. Its presence in these compounds can contribute to their biological activity, making it an essential component in the development of new therapeutic agents.
Used in Drug Discovery:
1-Boc-4-(6-Aminopyrimidin-4-yl)piperazine is utilized as a research chemical in drug discovery, where it aids in the identification and optimization of potential therapeutic agents. Its unique chemical properties and reactivity make it a valuable tool in the search for new drugs to treat various diseases and conditions.
Used in Chemical Biology:
In chemical biology, 1-Boc-4-(6-Aminopyrimidin-4-yl)piperazine is applied in the study of biological processes and the development of chemical probes. Its incorporation into biologically active molecules can provide insights into the mechanisms of action and potential applications of these compounds in understanding and manipulating biological systems.
Used in Pharmaceutical Development:
1-Boc-4-(6-Aminopyrimidin-4-yl)piperazine plays a crucial role in pharmaceutical development, where it is used to synthesize and optimize drug candidates. Its presence in these candidates can enhance their pharmacological properties, leading to the development of more effective and safer medications for the treatment of various diseases and conditions.

InChI:InChI=1/C13H21N5O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-8-10(14)15-9-16-11/h8-9H,4-7H2,1-3H3,(H2,14,15,16)

Upstream product

• 5305-59-9 4-amino-6-chloropyrimidine 
• 57260-71-6 1-t-Butoxycarbonylpiperazine 

Downstream Products

• 1578262-47-1 (S)-2-amino-1-(4-(6-amino-5-chloropyrimidin-4-yl)piperazin-1-yl)-3-phenylpropan-1-one 
• 1578262-48-2 (±)-2-amino-1-(4-(6-amino-5-chloropyrimidin-4-yl)piperazin-1-yl)-3-(4-chlorophenyl)propan-1-one 
• 1578262-49-3 (±)-2-amino-1-(4-(6-amino-5-bromopyrimidin-4-yl)piperazin-1-yl)-3-(4-chlorophenyl) propan-1-one 
• 1578262-50-6 (S)-2-amino-1-(4-(6-amino-5-bromopyrimidin-4-yl)piperazin-1-yl)-3-phenylpropan-1-one 

Relevant articles and documents

Design, synthesis and biological evaluation of pyridone–aminal derivatives as MNK1/2 inhibitors

Excessive phosphorylation of eukaryotic translation initiation factor 4E (eIF4E) plays a major role in the dysregulation of mRNA translation and the activation of tumor cell signaling. eIF4E is exclusively phosphorylated by mitogen-activated protein kinase interacting kinases 1 and 2 (MNK1/2) on Ser209. So, MNK1/2 inhibitors could decrease the level of p-eIF4E and regulate tumor-associated signaling pathways. A series of pyridone–aminal derivatives were synthesized and evaluated as MNK1/2 inhibitors. Several compounds exhibited great inhibitory activity against MNK1/2 and selected compounds showed moderate to excellent anti-proliferative potency against hematologic cancer cell lines. In particular, compound 42i (MNK1 IC50 = 7.0 nM; MNK2 IC50 = 6.1 nM) proved to be the most potent compound against TMD-8 cell line with IC50 value of 0.91 μM. Furthermore, 42i could block the phosphorylation level of eIF4E in CT-26 cell line, and 42i inhibited the tumor growth of CT-26 allograft model significantly. These results indicated that compound 42i was a promising MNK1/2 inhibitor for the potent treatment of colon cancer.

BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2

The present invention directs to a compound represented by formula (I).

Integrating docking scores, interaction profiles and molecular descriptors to improve the accuracy of molecular docking: Toward the discovery of novel Akt1 inhibitors

A set of forty-seven Akt1 inhibitors was used for the development of molecular docking based QSAR model by using nonlinear regression. The integration of docking scores, key interaction profiles and molecular descriptors remarkably improved the accuracy of the QSAR models, providing reasonable statistical parameters (Rtrain2 = 0.948, R test2 = 0.907 and Qcv2 = 0.794). The established MD-SVR model based structural modification of new 4-amino-pyrimidine derivatives was further performed, and six compounds 56a,b and 60a-d with good prediction activities were synthesized and biologically evaluated. All of these compounds exhibited promising Akt1 inhibitory and antiproliferative activities, suggesting the reliability and good application value of the established MD-SVR model in the development of Akt1 inhibitors.

Tyrosine kinase inhibitors

The present invention relates to compounds which inhibit, regulate and/or modulate tyrosine kinase signal transduction, compositions which contain these compounds, and methods of using them to treat tyrosine kinase-dependent diseases and conditions, such as angiogenesis, cancer, tumor growth, atherosclerosis, age related macular degeneration, diabetic retinopathy, inflammatory diseases, and the like in mammals.