8-Br-NAD+ sodium

• CAT Number: I042018
• CAS Number: 2022926-16-3
• Molecular Formula: C21H25BrN7NaO14P2
• Molecular Weight: 764.30
• Purity: ≥95%
• Synonyms: sodium;[[(2R,3S,4R,5R)-5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
• InChI: InChI=1S/C21H26BrN7O14P2.Na/c22-21-27-11-16(23)25-7-26-18(11)29(21)20-15(33)13(31)10(42-20)6-40-45(37,38)43-44(35,36)39-5-9-12(30)14(32)19(41-9)28-3-1-2-8(4-28)17(24)34;/h1-4,7,9-10,12-15,19-20,30-33H,5-6H2,(H5-,23,24,25,26,34,35,36,37,38);/q;+1/p-1/t9-,10-,12-,13-,14-,15-,19-,20-;/m1./s1
• InChIKey: OVUYJZJQRPYGFH-XKJOWHJHSA-M
• SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)N4C5=NC=NC(=C5N=C4Br)N)O)O)O)O)C(=O)N.[Na+]

8-Br-NAD+ sodium is an NAD+ derivative that acts as a substrate for transfer to diversely modified ADP-ribosylated molecules[1].

Reference

[1]. Anlian Zhu, et al. Biomimetic α-selective ribosylation enables two-step modular synthesis of biologically important ADP-ribosylated peptides. Nat Commun. 2020 Nov 5;11(1):5600. 
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