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Thymidine 5′-diphosphate (sodium)

CAT: 0804-HY-131576ASize: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-131576ASize:5 mg
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Description
Thymidine 5′-diphosphate (dTDP) sodium is the key product of pyrimidine synthesis in organisms. Thymidine 5′-diphosphate sodium is produced by thymidylate kinase (TMPK) catalyzed phosphorylation of 5′-thymidine monophosphate (dTMP), which requires ATP and Mg2+. Thymidine 5′-diphosphate sodium is further catalyzed by TMPK to thymidine 5′-triphosphate (dTTP) . TMPK activity can be detected by measuring the level of Thymidine 5′-diphosphate[1][2].
CAS Number
108322-12-9
Product Name Alternative
DTDP (sodium)
UNSPSC
12352005
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/thymidine-5-diphosphate-sodium.html
Purity
99.0
Solubility
H2O : 50 mg/mL (ultrasonic; warming)
Smiles
O=C(N1)N([C@H]2C[C@H](O)[C@@H](COP(OP(O)(O)=O)(O)=O)O2)C=C(C)C1=O.[Na].[x]
Molecular Formula
C10H16N2O11P2.xNa
References & Citations
[1]Cui Q, et al. Thymidylate kinase: an old topic brings new perspectives. Curr Med Chem. 2013;20 (10) :1286-305. |[2]Tzeng HF, et al. Simultaneous determination of thymidylate and thymidine diphosphate by capillary electrophoresis as a rapid monitoring tool for thymidine kinase and thymidylate kinase activities. Electrophoresis. 2005 Jun;26 (11) :2225-30.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Thymidine 5'-diphosphate sodium salt
CAS Number108322-12-9
PubChem CID71434006
IUPAC Namedisodium;[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate
Molecular FormulaC10H13N2Na2O11P2-
Molecular Weight445.14
Topological Polar Surface Area201
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge-1
Complexity669
SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)([O-])OP(=O)([O-])[O-])O.[Na+].[Na+]
InChI
InChI=1S/C10H16N2O11P2.2Na/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18;;/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18);;/q;2*+1/p-3
InChIKey
YFUBCYKGSJTXQX-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of Thymidine 5'-diphosphate sodium salt
CAS: 108322-12-9
CID: 71434006
Formula: C10H13N2Na2O11P2-
MW: 445.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.14
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass444.97899679
Monoisotopic Mass444.97899679
Topological Polar Surface Area201 Ų
Heavy Atom Count27
Formal Charge-1
Complexity669
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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