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Azathioprine-[13C4]

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General Information
Catalog: BLP-008240
CAS: 1346600-71-2
Molecular Formula: C5[13C]4H7N7O2S
Molecular Weight: 281.23

Chemical Structure

Description	Azathioprine-[13C4] is the labelled analogue of Azathioprine. Azathioprine is an immunosuppressive drug, inhibiting purine synthesis and GTP-binding protein Rac1 activation, used in the treatment of organ transplantation and autoimmune diseases.
Synonyms	Azathioprine-13C4; 6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)thio]-1H-purine-13C4; BW-57-322-13C4; NSC-39084-13C4; Azanin-13C4; Imuran-13C4; Imurek-13C4; Imurel-13C4; Zytrim-13C4
IUPAC Name	6-(3-(1-13C)methyl-5-nitro(2,4,5-13C3)imidazol-4-yl)sulfanyl-7H-purine
Related CAS	446-86-6 (unlabelled)
Isomeric SMILES	[13CH3]N1[13CH]=N[13C](=[13C]1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]
Canonical SMILES	CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]
InChI	InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13)/i1+1,4+1,7+1,9+1
InChI Key	LMEKQMALGUDUQG-HXRDNURUSA-N
Melting Point	251-253°C
Purity	≥96%; ≥98% atom 13C
Solubility	Slightly soluble in DMSO, Methanol (Heated)
Appearance	Light Yellow Solid
Storage	Store at -20°C