| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Human Endogenous Metabolite; deoxyribonucleotide; Microbial Metabolite
|
|---|---|
| ln Vitro |
5'-Thymidylic acid (dTMP) is a deoxyribonucleotide. It is formed via methylation of dUMP by thymidylate synthase. It is further phosphorylated by thymidine kinase (TK) to form dTDP during nucleic acid synthesis. [1,2]
|
| ln Vivo |
Oral administration of dTMP in combination with dCMP increases lifespan in a Tk2 H126N knock-in mouse model of TK2 deficiency.[3]
|
| References |
[1]. Berg, J.M., Tymoczko, J.L., and Stryer, L. Nucleotide biosynthesis. Biochemistry 2002.
[2]. Lee, L.S., and Cheng, Y. Human thymidylate kinase. Purification, characterization, and kinetic behavior of the thymidylate kinase derived from chronic myelocytic leukemia. J. Biol. Chem. 1977, 252(16), 5686-5691. [3]. Lopez-Gomez, C., Levy, R.J., Sanchez-Quintero, M.J., et al. Deoxycytidine and deoxythymidine treatment for thymidine kinase 2 deficiency. Ann. Neurol. 2017, 81(5), 641-652. |
| Additional Infomation |
Novel chiral Schiff base ligands (R)/(S)-2-amino-3-(((1-hydroxypropan-2-yl)imino)methyl)-4H-chromen-4-one (L(1) and L(2)) derived from 2-amino-3-formylchromone and (R/S)-2-amino-1-propanol and their Cu(II)/Zn(II) complexes (R1, S1, R2, and S2) were synthesized. The complexes were characterized by elemental analysis, infrared (IR), hydrogen ((1) H) and carbon ((13)C) nuclear magnetic resonance (NMR), electrospray ionization-mass spectra (ESI-MS), and molar conductance measurements. The DNA binding studies of the complexes with calf thymus were carried out by employing different biophysical methods and molecular docking studies that revealed that complexes R1 and S1 prefers the guanine-cytosine-rich region, whereas R2 and prefers the adenine-thymine residues in the major groove of DNA. The relative trend in K(b) values followed the order R1>S1>R2>S2. This observation together with the findings of circular dichroic and fluorescence studies revealed maximal potential of (R)-enantiomeric form of complexes to bind DNA. Furthermore, the absorption studies with mononucleotides were also monitored to examine the base-specific interactions of the complexes that revealed a higher propensity of Cu(II) complexes for guanosine-5'-monophosphate disodium salt, whereas Zn(II) complexes preferentially bind to thymidine-5'-monophosphate disodium salt. The cleavage activity of R1 and R2 with pBR322 plasmid DNA was examined by gel electrophoresis that revealed that they are good DNA cleavage agents; nevertheless, R1 proved to show better DNA cleavage ability. Topoisomerase II inhibitory activity of complex R1 revealed that the complex inhibits topoisomerase II catalytic activity at a very low concentration (25 μM). Furthermore, in vitro antitumor activity of complexes R1 and S1 were screened against human carcinoma cell lines of different histological origin. Mohd Afzal Chirality . 2012 Dec;24(12):977-86.
|
| Molecular Formula |
C10H13N2NA2O8P
|
|---|---|
| Molecular Weight |
366.17
|
| Exact Mass |
366.02
|
| Elemental Analysis |
C, 32.80; H, 3.58; N, 7.65; Na, 12.56; O, 34.95; P, 8.46
|
| CAS # |
33430-62-5
|
| Related CAS # |
Thymidine-5'-monophosphate-13C10,15N2 disodium;1485539-28-3
|
| PubChem CID |
153672
|
| Appearance |
White to off-white solid powder
|
| Melting Point |
>300 ℃
|
| Index of Refraction |
-8 ° (C=0.4, H2O)
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
8
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
23
|
| Complexity |
518
|
| Defined Atom Stereocenter Count |
3
|
| SMILES |
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])[O-])O.[Na+].[Na+]
|
| InChi Key |
AGSQMPPRYZYDFV-ZJWYQBPBSA-L
|
| InChi Code |
InChI=1S/C10H15N2O8P.2Na/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18;;/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18);;/q;2*+1/p-2/t6-,7+,8+;;/m0../s1
|
| Chemical Name |
disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
|
| Synonyms |
33430-62-5; 5'-Thymidylic acid, disodium salt; 5'-Thymidylic Acid Disodium Salt; thymidine-5'-monophosphate disodium salt; 75652-49-2; THYMIDINE 5'-MONOPHOSPHATE, DISODIUM SALT; Thymidine 5'-Monophosphate Disodium Salt; disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate;
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
H2O :~125 mg/mL (~341.37 mM)
DMSO :< 1 mg/mL |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 100 mg/mL (273.10 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.
(Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.7310 mL | 13.6549 mL | 27.3097 mL | |
| 5 mM | 0.5462 mL | 2.7310 mL | 5.4619 mL | |
| 10 mM | 0.2731 mL | 1.3655 mL | 2.7310 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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