DCN1-UBC12 inhibitor DN-2

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MedKoo CAT#: 208101

CAS#: N/A

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

Chemical Structure

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

Theoretical Analysis

MedKoo Cat#: 208101
Name: DCN1-UBC12 inhibitor DN-2
CAS#: N/A
Chemical Formula: C23H20ClN7O3S2
Exact Mass: 541.08
Molecular Weight: 542.030
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 not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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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:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.