WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 574941
Description: YMU1 is a human thymidylate kinase (hTMPK) inhibitor that lacks inhibitory effect on the activity of purified thymidine kinase 1 (TK1). YMU1 stabilizes the conformation of ligand-induced degradation (LID) region of hTMPK and blocks the catalytic site or ATP-binding site. Blocking hTMPK by YMU1 attenuates the ATP binding-induced closed conformation that is required for phosphorylation of dTMP and sensitizes cancer cells for low-dose doxorubicin chemotherapy.
MedKoo Cat#: 574941
Chemical Formula: C17H22N4O4S
Exact Mass: 378.1362
Molecular Weight: 378.45
Elemental Analysis: C, 53.95; H, 5.86; N, 14.80; O, 16.91; S, 8.47
Synonym: YMU1; YMU 1; YMU-1
IUPAC/Chemical Name: ethyl 4-(2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetyl)piperazine-1-carboxylate
InChi Key: XXUFNNVFZFVKGP-UHFFFAOYSA-N
InChi Code: InChI=1S/C17H22N4O4S/c1-4-25-17(24)20-7-5-19(6-8-20)13(22)10-21-16(23)14-11(2)9-12(3)18-15(14)26-21/h9H,4-8,10H2,1-3H3
SMILES Code: O=C(N1CCN(C(CN2SC3=NC(C)=CC(C)=C3C2=O)=O)CC1)OCC
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 378.45 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
|Concentration / Solvent Volume / Mass||1 mg||5 mg||10 mg|
|1 mM||1.15 mL||5.76 mL||11.51 mL|
|5 mM||0.23 mL||1.15 mL||2.3 mL|
|10 mM||0.12 mL||0.58 mL||1.15 mL|
|50 mM||0.02 mL||0.12 mL||0.23 mL|
1. YH Chen et al. Chemical Inhibition of Human Thymidylate Kinase and Structural Insights into the Phosphate Binding Loop and Ligand-Induced Degradation. J Med Chem. 2016 Nov 10;59(21):9906-9918.