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2'-Deoxy-4'-thiocytidine

CAT: 0013-GTR19235766-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235766-01Size:25 mg
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Description
2′-Deoxy-4′-thiocytidine (T-dCyd) is a novel epigenetic agent that potently upregulates p21 expression. It has shown efficacy in eliminating tumor cells in double-mutant xenograft models, supporting its investigation in oncology research for both in vitro mechanistic studies and in vivo antitumor activity evaluation.
CAS Number
134111-30-1
Field of Research
Epigenetics & Chromatin
Smiles
O=C1N ([C@@H]2S[C@H] (CO) [C@@H] (O) C2) C=CC (N) =N1
Molecular Formula
C9H13N3O3S
Molecular Weight
243.28
Storage Conditions
-20°C
Notes
For research use only.

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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