3'-Azido-3'-deoxy-5-methylcytidine

Category	Human immunodeficiency Virus (HIV)
CAS	1282040-14-5
Description	3'-Azido-3'-deoxy-5-methylcytidine (CS-92) is a potent xenotropic murine leukemia-related retrovirus (XMRV) inhibitor with a CC50 of 43.5 μM in MCF-7 cells.

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Synonyms	Cytidine, 3'-azido-3'-deoxy-5-methyl-; 4-amino-1-((2R,3R,4S,5S)-4-azido-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidin-2(1H)-one
IUPAC Name	4-amino-1-[(2R,3R,4S,5S)-4-azido-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
Molecular Weight	282.26
Molecular Formula	C10H14N6O4
Canonical SMILES	CC1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)N=[N+]=[N-])O
InChI	InChI=1S/C10H14N6O4/c1-4-2-16(10(19)13-8(4)11)9-7(18)6(14-15-12)5(3-17)20-9/h2,5-7,9,17-18H,3H2,1H3,(H2,11,13,19)/t5-,6-,7-,9-/m1/s1
InChIKey	HQIDXEHGLJUNPT-JXOAFFINSA-N
Purity	≥95%
Solubility	In Vitro: DMSO : 83.33 mg/mL(95.22 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40% PEG300 >> 5% Tween-80 >> 45% saline Solubility: ≥ 2.08 mg/mL (7.37 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90% (20% SBE-β-CD in saline) Solubility: ≥ 2.08 mg/mL (7.37 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90% corn oil Solubility: ≥ 2.08 mg/mL (7.37 mM); Clear solution
Appearance	Solid Powder
Storage	Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month
Exact Mass	525.20100
PSA	143.30000
Target	HIV; Reverse Transcriptase