14080-23-0 | Pyrimidine-2-carbonitrile

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$9.00	$6.00
10g	98%	in stock	$11.00	$8.00
25g	98%	in stock	$19.00	$14.00
50g	95%	in stock	$38.00	$27.00

Description

• Catalog Number: AA63010
• Chemical Name: Pyrimidine-2-carbonitrile
• CAS Number: 14080-23-0
• Molecular Formula: C5H3N3
• Molecular Weight: 105.0974
• MDL Number: MFCD00160513
• SMILES: N#Cc1ncccn1

Computed Properties

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

Literature

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

  Bioorganic & medicinal chemistry letters 20111201

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

  Dalton transactions (Cambridge, England : 2003) 20110607

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

  Acta crystallographica. Section E, Structure reports online 20110601

• Mining a cathepsin inhibitor library for new antiparasitic drug leads.

  PLoS neglected tropical diseases 20110501

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

  PLoS currents 20110103

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

  Chemistry Central journal 20110101

• Protease-associated cellular networks in malaria parasite Plasmodium falciparum.

  BMC genomics 20110101

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

  Bioorganic & medicinal chemistry letters 20101101

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

  Inorganic chemistry 20100920

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

  Journal of medicinal chemistry 20100826

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

  Bioorganic & medicinal chemistry letters 20100801

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

  Bioorganic & medicinal chemistry letters 20100801

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

  Bioorganic & medicinal chemistry letters 20100301

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

  International journal of medical sciences 20100101

• 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.

  International journal of medical sciences 20100101

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

  International journal of medical sciences 20100101

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

  Bioorganic & medicinal chemistry letters 20081001

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

  Journal of medicinal chemistry 20080710

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

  Acta crystallographica. Section E, Structure reports online 20080501

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

  Dalton transactions (Cambridge, England : 2003) 20080421

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

  Acta crystallographica. Section E, Structure reports online 20080101

• Pyrimidine-2-carboxamide.

  Acta crystallographica. Section E, Structure reports online 20080101

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

  Acta crystallographica. Section E, Structure reports online 20080101

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

  Dalton transactions (Cambridge, England : 2003) 20070514

• 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).

  Inorganic chemistry 20070402

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

  Journal of medicinal chemistry 20051006