N,N’-Bis-Boc-1-guanylpyrazole-13C,15N2

• CAT Number: R052213
• CAS Number: 1346606-42-5
• Molecular Formula: C14H22N4O4
• Molecular Weight: 313.333
• Purity: ≥95%
• Synonyms: N-[[[(1,1-Dimethylethoxy)carbonyl]amino]-1H-pyrazol-1-ylmethylene]carbamic Acid-13C,15N2 1,1-Dimethylethyl Ester; Di(tert-butoxycarbonyl)amidino]-?1H-pyrazole-13C,15N2; N,N’-Bis(tert-butoxycarbonyl)-1-guanylpyrazole-13C,15N2; N,N’-Di-boc-1H-pyrazole-
• Storage: Room temperature
• IUPAC Name: tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate
• InChI: InChI=1S/C14H22N4O4/c1-13(2,3)21-11(19)16-10(18-9-7-8-15-18)17-12(20)22-14(4,5)6/h7-9H,1-6H3,(H,16,17,19,20)/i10+1,16+1,17+1
• InChIKey: QFNFDHNZVTWZED-YCJYUVRPSA-N
• SMILES: CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1

N,N’-Bis-Boc-1-guanylpyrazole-13C,15N2 is an isotopically labeled compound featuring carbon-13 and nitrogen-15 atoms, used predominantly in pharmaceutical and organic chemistry research. This compound, protected with two Boc (tert-butyloxycarbonyl) groups, serves as a building block for synthesizing guanidine derivatives and studying their biological activity. Its isotopic labels facilitate detailed NMR and mass spectrometry studies, allowing researchers to trace reaction pathways, analyze metabolic stability, and investigate mechanisms of action. This compound is valuable for drug development, particularly in designing enzyme inhibitors and exploring protein-ligand interactions.