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14080-23-0,MFCD00160513
Catalog No.:AA001CP2

14080-23-0 | Pyrimidine-2-carbonitrile

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5g
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$9.00   $7.00
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25g
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA001CP2
Chemical Name:
Pyrimidine-2-carbonitrile
CAS Number:
14080-23-0
Molecular Formula:
C5H3N3
Molecular Weight:
105.0974
MDL Number:
MFCD00160513
SMILES:
N#Cc1ncccn1
Properties
Properties
 
BP:
250.7 °C at 760 mmHg  
Form:
Solid  
MP:
40-44 °C  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
106  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
XLogP3:
-0.3  

Literature

Title: 3D-QSAR and molecular docking studies of 2-pyrimidinecarbonitrile derivatives as inhibitors against falcipain-3.

Journal: Bioorganic & medicinal chemistry letters 20111201

Title: Unprecedented copper(I)-catalyzed in situ double cycloaddition reaction based on 2-cyanopyrimidine.

Journal: Dalton transactions (Cambridge, England : 2003) 20110607

Title: Poly[(μ(2)-nitrato-κO:O')(μ(2)-pyrimidin-ium-2-carboxyl-ato-κO:O')lithium(I)].

Journal: Acta crystallographica. Section E, Structure reports online 20110601

Title: Mining a cathepsin inhibitor library for new antiparasitic drug leads.

Journal: PLoS neglected tropical diseases 20110501

Title: Top-hits for H1N1pdm Identified by Virtual Screening Using Ensemble-based Docking.

Journal: PLoS currents 20110103

Title: Synthesis and characterization of novel 2, 2'-bipyrimidine fluorescent derivative for protein binding.

Journal: Chemistry Central journal 20110101

Title: Protease-associated cellular networks in malaria parasite Plasmodium falciparum.

Journal: BMC genomics 20110101

Title: Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Mixed azide and 5-(pyrimidyl)tetrazole bridged Co(II)/Mn(II) polymers: synthesis, crystal structures, ferroelectric and magnetic behavior.

Journal: Inorganic chemistry 20100920

Title: Falcipain inhibitors: optimization studies of the 2-pyrimidinecarbonitrile lead series.

Journal: Journal of medicinal chemistry 20100826

Title: 4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important.

Journal: Bioorganic & medicinal chemistry letters 20100801

Title: 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20100801

Title: Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20100301

Title: The Diels-Alder-reaction with inverse-electron-demand, a very efficient versatile click-reaction concept for proper ligation of variable molecular partners.

Journal: International journal of medical sciences 20100101

Title: Gain of a 500-fold sensitivity on an intravital MR contrast agent based on an endohedral gadolinium-cluster-fullerene-conjugate: a new chance in cancer diagnostics.

Journal: International journal of medical sciences 20100101

Title: A cyclic-RGD-BioShuttle functionalized with TMZ by DARinv 'Click Chemistry' targeted to αvβ3 integrin for therapy.

Journal: International journal of medical sciences 20100101

Title: Overcoming hERG issues for brain-penetrating cathepsin S inhibitors: 2-cyanopyrimidines. Part 2.

Journal: Bioorganic & medicinal chemistry letters 20081001

Title: Ensemble-based virtual screening reveals potential novel antiviral compounds for avian influenza neuraminidase.

Journal: Journal of medicinal chemistry 20080710

Title: Poly[diaqua-μ(2)-oxalato-di-μ(2)-pyrimidine-2-carboxyl-ato-dimanganese(II)].

Journal: Acta crystallographica. Section E, Structure reports online 20080501

Title: A manganese(II) coordination polymer with mixed pyrimidine-2-carboxylate and oxalate bridges: synthesis, structure, and magnetism.

Journal: Dalton transactions (Cambridge, England : 2003) 20080421

Title: Bis(pyrimidine-2-carboxyl-ato-κN,O)copper(II).

Journal: Acta crystallographica. Section E, Structure reports online 20080101

Title: Pyrimidine-2-carboxamide.

Journal: Acta crystallographica. Section E, Structure reports online 20080101

Title: 1,2-Bis[amino-(pyrimidin-2-yl)methyl-ene]hydrazine dihydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20080101

Title: Synthesis, X-ray structures and luminescence properties of three multidimensional metal-organic frameworks incorporating the versatile 5-(pyrimidyl)tetrazolato bridging ligand.

Journal: Dalton transactions (Cambridge, England : 2003) 20070514

Title: Self-assembled cationic heterochiral honeycomb-layered metal complexes with the in situ generated pyrimidine-2-carboxylato bisdidentate ligand. Hydrothermal synthesis, crystal structures, magnetic properties, and theoretical study of [M2(micro-pymca)3]OH.H2O (M = FeII, CoII).

Journal: Inorganic chemistry 20070402

Title: 5-Cyanopyrimidine derivatives as a novel class of potent, selective, and orally active inhibitors of p38alpha MAP kinase.

Journal: Journal of medicinal chemistry 20051006

Title: Altmann E, et al. 2-Cyano-pyrimidines: a new chemotype for inhibitors of the cysteine protease cathepsin K. J Med Chem. 2007 Feb 22;50(4):591-4.

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