MedKoo Cat#: 122523 | Name: ITK7
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Description:

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

ITK7 is a potent PARP11 inhibitor with IC50 = 14 nM

Chemical Structure

ITK7
ITK7
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 122523

Name: ITK7

CAS#: N/A

Chemical Formula: C17H14N4OS

Exact Mass: 322.0900

Molecular Weight: 322.39

Elemental Analysis: C, 63.34; H, 4.38; N, 17.38; O, 4.96; S, 9.94

Price and Availability

Size Price Availability Quantity
5mg USD 450.00 2 Weeks
25mg USD 1,050.00 2 Weeks
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Related CAS #
No Data
Synonym
ITK7; ITK-7; ITK 7
IUPAC/Chemical Name
8-methyl-7-(prop-1-yn-1-yl)-2-((pyrimidin-2-ylthio)methyl)quinazolin-4(3H)-one
InChi Key
VRECINGNBPANGK-UHFFFAOYSA-N
InChi Code
InChI=1S/C17H14N4OS/c1-3-5-12-6-7-13-15(11(12)2)20-14(21-16(13)22)10-23-17-18-8-4-9-19-17/h4,6-9H,10H2,1-2H3,(H,20,21,22)
SMILES Code
O=C1NC(CSC2=NC=CC=N2)=NC3=C(C)C(C#CC)=CC=C31
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 322.39 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
Kirby IT, Kojic A, Arnold MR, Thorsell AG, Karlberg T, Vermehren-Schmaedick A, Sreenivasan R, Schultz C, Schüler H, Cohen MS. A Potent and Selective PARP11 Inhibitor Suggests Coupling between Cellular Localization and Catalytic Activity. Cell Chem Biol. 2018 Dec 20;25(12):1547-1553.e12. doi: 10.1016/j.chembiol.2018.09.011. Epub 2018 Oct 18. PMID: 30344052.