TH-1217
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 584646

CAS#: 1862212-48-3

Description: 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

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TH-1217
CAS# 1862212-48-3
Instruction

Theoretical Analysis

MedKoo Cat#: 584646
Name: TH-1217
CAS#: 1862212-48-3
Chemical Formula: C20H17BCl2N4O6
Exact Mass: 490.06
Molecular Weight: 491.088
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 2 Weeks
50mg USD 750 2 Weeks
100mg USD 1250 2 Weeks
200mg USD 2050 2 Weeks
500mg USD 3650 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:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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[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.