Citrulline-specific Probe-rhodamine

Protein arginine deiminases (PADs) catalyze the posttranslational modification of arginine residues on proteins to form citrulline, which plays a large role in regulating gene expression. Abnormally high PAD activity has been observed in a host of human diseases. Citrulline-specific probe-rhodamine is a highly sensitive, rhodamine phenylglyoxal-based fluorophore that specifically detects protein citrullination via a chemoselective reaction between glyoxal and citrulline. This chemical probe (comprised of a single isomer) is capable of reacting with any citrulline-containing protein and can be analyzed with fluorescent imaging (excitation 532 nm, emission 580 nm). When added at 100 µM for 30 minutes at acidic pH, this probe has a reported limit of detection of ~10 ng for citrullinated histone H3 and ~1 ng for autodeiminated PAD4.Formal Name: 3',6'-bis(dimethylamino)-3-oxo-N-((1-(1-oxo-1-((3-(2-oxoacetyl)phenyl)amino)propan-2-yl)-1H-1,2,3-triazol-4-yl)methyl)-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxamide, monohydrate. CAS Number: 2309313-01-5. Synonyms: Rhodamine Phenylglyoxal, Rh-PG. Molecular Formula: C39H35N7O7 . H2O. Formula Weight: 731.8. Emission: 580 nm. Excitation: 532 nm. Formulation: (Request formulation change), A lyophilized solid. Solubility: Acetonitrile:Water (2:1): 1 mg/ml, DMF: 1 mg/ml. lambdamax: 227, 355, 551 nm. SMILES: CN(C)C1=CC2=C(C=C1)C3(C(C=CC(C(NCC4=CN(C(C(NC5=CC(C(C([H])=O)=O)=CC=C5)=O)C)N=N4)=O)=C6)=C6C(O3)=O)C7=CC=C(N(C)C)C=C7O2.O. InChi Code: InChI=1S/C39H35N7O7.H2O/c1-22(36(49)41-25-8-6-7-23(15-25)33(48)21-47)46-20-26(42-43-46)19-40-37(50)24-9-12-30-29(16-24)38(51)53-39(30)31-13-10-27(44(2)3)17-34(31)52-35-18-28(45(4)5)11-14-32(35)39,/h6-18,20-22H,19H2,1-5H3,(H,40,50)(H,41,49),1H2. InChi Key: CHONNVSIRGWDEB-UHFFFAOYSA-N. License: Sold under license from The Scripps Research Institute..