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2'-Deoxy-4'-thiocytidine

CAT: 0931-T85405-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T85405-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
134111-30-1
Target
Others, DNA Methyltransferase
Related Pathways
Chromatin/Epigenetic, Others
Bioactivity
2′-Deoxy-4′-thiocytidine (T-dCyd), a novel epigenetic agent, markedly increases p21 levels upon administration. Additionally, this compound has demonstrated the ability to eradicate tumor cells in double-mutant xenografts [1].
Smiles
O=C1N([C@@H]2S[C@H](CO)[C@@H](O)C2)C=CC(N)=N1
Molecular Formula
C9H13N3O3S
Molecular Weight
243.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2'-Deoxy-4'-thiocytidine

RN & structure given in first source

CAS Number134111-30-1
PubChem CID125924
IUPAC Name4-amino-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
Molecular FormulaC9H13N3O3S
Molecular Weight243.29
XLogP-0.9
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity358
SMILES
C1[C@@H]([C@H](SC1N2C=CC(=NC2=O)N)CO)O
InChI
InChI=1S/C9H13N3O3S/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8?/m0/s1
InChIKey
MOMUJZRKXYLWMH-FWHJPCMOSA-N
Chemical Structure
2D Structure
2D structure of 2'-Deoxy-4'-thiocytidine
CAS: 134111-30-1
CID: 125924
Formula: C9H13N3O3S
MW: 243.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight243.29
XLogP3-0.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass243.06776246
Monoisotopic Mass243.06776246
Topological Polar Surface Area124 Ų
Heavy Atom Count16
Formal Charge0
Complexity358
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-1600842′-Deoxy-4′-thiocytidine
GTR19235766-012'-Deoxy-4'-thiocytidine
TRC-D245513-5MG(-)-2'-Deoxy-3'-oxa-4'-thiocytidine (Apricitabine)
KGA70769-01(-) -2'-Deoxy-3'-oxa-4'-thiocytidine (apricitabine)
D245520trans-2'-Deoxy-3'-oxa-4'-thiocytidine (Apricitabine)
HY-152654-014′-Thiocytidine
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