MedKoo Cat#: 584646 | Name: TH-1217
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

TH 1217, also known as ZINC1775962367, is a potent and selective dCTPase pyrophosphatase 1 (dCTPase) inhibitor, with an IC50 of 47 nM. TH1217 enhances the cytotoxic effect of cytidine analogues in leukemia cells. TH1217 also could modulate SARS-Cov-2 interactors, so it shows activity of against COVID-19.

Chemical Structure

TH-1217
TH-1217
CAS#1862212-48-3

Theoretical Analysis

MedKoo Cat#: 584646

Name: TH-1217

CAS#: 1862212-48-3

Chemical Formula: C20H17BCl2N4O6

Exact Mass: 490.0618

Molecular Weight: 491.09

Elemental Analysis: C, 48.92; H, 3.49; B, 2.20; Cl, 14.44; N, 11.41; O, 19.55

Price and Availability

Size Price Availability Quantity
25mg USD 450.00 2 Weeks
50mg USD 750.00 2 Weeks
100mg USD 1,250.00 2 Weeks
200mg USD 2,050.00 2 Weeks
500mg USD 3,650.00 2 Weeks
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Synonym
TH 1217; TH1217; TH-1217; ZINC1775962367; ZINC-1775962367; ZINC1775962367;
IUPAC/Chemical Name
2-[4-[[5,6-Dichloro-2-methyl-4-nitro-1H-benzo[d]-imidazol-1-yl]methyl]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
InChi Key
FUJZJWQLQGXDEK-UHFFFAOYSA-N
InChi Code
InChI=1S/C20H17BCl2N4O6/c1-11-24-19-15(7-14(22)18(23)20(19)27(30)31)26(11)8-12-3-5-13(6-4-12)21-32-16(28)9-25(2)10-17(29)33-21/h3-7H,8-10H2,1-2H3
SMILES Code
O=C(CN(C)C1)OB(C2=CC=C(CN3C(C)=NC4=C([N+]([O-])=O)C(Cl)=C(Cl)C=C34)C=C2)OC1=O
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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 491.09 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.

Recalculate based on batch purity %
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]. Llona-Minguez S, et, al. Discovery of the First Potent and Selective Inhibitors of Human dCTP Pyrophosphatase 1. Med Chem. 2016 Feb 11; 59(3): 1140-1148. [2]. Gordon DE, et, al. A SARS-CoV-2-Human Protein-Protein Interaction Map Reveals Drug Targets and Potential Drug-Repurposing. bioRxiv. 2020 Mar 22; 2020.03.22.002386.