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MedKoo Cat#: 208101 | Name: DCN1-UBC12 inhibitor DN-2

Description:

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

DCN1-UBC12 inhibitor DN-2 is a novel potent and selective DCN1-UBC12 inhibitor for anticardiac fibrotic effects.

Chemical Structure

DCN1-UBC12 inhibitor DN-2
DCN1-UBC12 inhibitor DN-2
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 208101

Name: DCN1-UBC12 inhibitor DN-2

CAS#: N/A

Chemical Formula: C23H20ClN7O3S2

Exact Mass: 541.0758

Molecular Weight: 542.03

Elemental Analysis: C, 50.97; H, 3.72; Cl, 6.54; N, 18.09; O, 8.86; S, 11.83

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
DCN1-UBC12 inhibitor DN-2; DCN1UBC12inhibitorDN2; DCN1 UBC12 inhibitor DN 2
IUPAC/Chemical Name
2-((4-chlorobenzyl)thio)-4-((1-methyl-1H-tetrazol-5-yl)thio)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile
InChi Key
ZKZPHQPTGZBOHB-UHFFFAOYSA-N
InChi Code
InChI=1S/C23H20ClN7O3S2/c1-31-23(28-29-30-31)36-21-16(11-25)19(14-9-17(32-2)20(34-4)18(10-14)33-3)26-22(27-21)35-12-13-5-7-15(24)8-6-13/h5-10H,12H2,1-4H3
SMILES Code
ClC1=CC=C(CSC2=NC(C3=CC(OC)=C(OC)C(OC)=C3)=C(C#N)C(SC4=NN=NN4C)=N2)C=C1
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
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 542.03 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. He ZX, An Q, Wei B, Zhou WJ, Wei BF, Gong YP, Zhang X, Gao G, Dong GJ, Huo JL, Zhang XH, Yang FF, Liu HM, Ma LY, Zhao W. Discovery of Potent and Selective 2-(Benzylthio)pyrimidine-based DCN1-UBC12 Inhibitors for Anticardiac Fibrotic Effects. J Med Chem. 2022 Jan 13;65(1):163-190. doi: 10.1021/acs.jmedchem.1c01207. Epub 2021 Dec 23. PMID: 34939411.