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6-methyl-uridine ID: ALA439055
Cas Number: 16710-13-7
PubChem CID: 92887
Max Phase: Preclinical
Molecular Formula: C10H14N2O6
Molecular Weight: 258.23
Molecule Type: Small molecule
This compound is available for customization.
Associated Items:
Names and Identifiers Synonyms: 6-Methyl-Uridine | 6-Methyluridine|16710-13-7|Uridine, 6-methyl-|1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione|6-methyl-uridine|NSC 112513|SCHEMBL42101|CHEMBL439055|AKOS027447341|1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Canonical SMILES: Cc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Standard InChI: InChI=1S/C10H14N2O6/c1-4-2-6(14)11-10(17)12(4)9-8(16)7(15)5(3-13)18-9/h2,5,7-9,13,15-16H,3H2,1H3,(H,11,14,17)/t5-,7-,8-,9-/m1/s1
Standard InChI Key: SGKGZYGMLGVQHP-ZOQUXTDFSA-N
Molfile:
RDKit 2D
18 19 0 0 0 0 0 0 0 0999 V2000
9.4272 -8.9553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4272 -9.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1417 -10.1972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.8607 -9.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8607 -8.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1417 -8.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1405 -7.7132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7128 -10.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1405 -11.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4711 -11.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7250 -12.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5500 -12.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8059 -11.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2391 -12.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4189 -12.8713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0340 -12.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5910 -11.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5745 -10.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9 3 1 1
9 10 1 0
2 3 1 0
3 4 1 0
4 5 2 0
5 6 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 9 1 0
11 14 1 1
6 7 2 0
14 15 1 0
1 2 1 0
12 16 1 6
2 8 2 0
13 17 1 6
1 6 1 0
4 18 1 0
M END Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Calculated Properties Molecular Weight: 258.23Molecular Weight (Monoisotopic): 258.0852AlogP: -2.54#Rotatable Bonds: 2Polar Surface Area: 124.78Molecular Species: NEUTRALHBA: 7HBD: 4#RO5 Violations: ┄HBA (Lipinski): 8HBD (Lipinski): 4#RO5 Violations (Lipinski): ┄CX Acidic pKa: 9.98CX Basic pKa: ┄CX LogP: -2.21CX LogD: -2.21Aromatic Rings: 1Heavy Atoms: 18QED Weighted: 0.46Np Likeness Score: 0.66
References 1. Bello AM, Poduch E, Liu Y, Wei L, Crandall I, Wang X, Dyanand C, Kain KC, Pai EF, Kotra LP.. (2008) Structure-activity relationships of C6-uridine derivatives targeting plasmodia orotidine monophosphate decarboxylase., 51 (3): [PMID:18189347 ] [10.1021/jm7010673 ] 2. Focher F, Lossani A, Verri A, Spadari S, Maioli A, Gambino JJ, Wright GE, Eberle R, Black DH, Medveczky P, Medveczky M, Shugar D.. (2007) Sensitivity of monkey B virus (Cercopithecine herpesvirus 1) to antiviral drugs: role of thymidine kinase in antiviral activities of substrate analogs and acyclonucleosides., 51 (6): [PMID:17438061 ] [10.1128/aac.01284-06 ] 3. Bello AM, Konforte D, Poduch E, Furlonger C, Wei L, Liu Y, Lewis M, Pai EF, Paige CJ, Kotra LP.. (2009) Structure-activity relationships of orotidine-5'-monophosphate decarboxylase inhibitors as anticancer agents., 52 (6): [PMID:19260677 ] [10.1021/jm801224t ]