Synonym
DC-S100; DC S100; DCS100;
IUPAC/Chemical Name
N-(3,4-Dimethoxy-phenyl)-4-nitro-benzamide
InChi Key
QVRYMECVJRSTFI-UHFFFAOYSA-N
InChi Code
InChI=1S/C15H14N2O5/c1-21-13-8-5-11(9-14(13)22-2)16-15(18)10-3-6-12(7-4-10)17(19)20/h3-9H,1-2H3,(H,16,18)
SMILES Code
O=C(NC1=CC=C(OC)C(OC)=C1)C2=CC=C([N+]([O-])=O)C=C2
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
Biological target:
DC-S100 is a selective histone methyltransferase SET7 inhibitor.
In vitro activity:
In this study, DC-S100, which was discovered by pharmacophore- and docking-based virtual screening, was identified as the hit compound of SET7 inhibitor. Structure-activity relationship (SAR) analysis was performed on analogs of DC-S100 and according to the putative binding mode of DC-S100, structure modifications were made to improve its activity.
Reference: J Med Chem. 2015 Oct 22;58(20):8166-81. https://pubmed.ncbi.nlm.nih.gov/26390175/
Preparing Stock Solutions
The following data is based on the
product
molecular weight
302.29
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.
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:
1. Meng F, Cheng S, Ding H, Liu S, Liu Y, Zhu K, Chen S, Lu J, Xie Y, Li L, Liu R, Shi Z, Zhou Y, Liu YC, Zheng M, Jiang H, Lu W, Liu H, Luo C. Discovery and Optimization of Novel, Selective Histone Methyltransferase SET7 Inhibitors by Pharmacophore- and Docking-Based Virtual Screening. J Med Chem. 2015 Oct 22;58(20):8166-81. doi: 10.1021/acs.jmedchem.5b01154. Epub 2015 Sep 30. PMID: 26390175.
2. Furihata M, Ohtsuki Y, Ido E, Iwata J, Sonobe H, Araki K, Ogoshi S, Ohmori K. HLA-DR antigen- and S-100 protein-positive dendritic cells in esophageal squamous cell carcinoma--their distribution in relation to prognosis. Virchows Arch B Cell Pathol Incl Mol Pathol. 1992;61(6):409-14. doi: 10.1007/BF02890444. PMID: 1349780.
In vitro protocol:
1. Meng F, Cheng S, Ding H, Liu S, Liu Y, Zhu K, Chen S, Lu J, Xie Y, Li L, Liu R, Shi Z, Zhou Y, Liu YC, Zheng M, Jiang H, Lu W, Liu H, Luo C. Discovery and Optimization of Novel, Selective Histone Methyltransferase SET7 Inhibitors by Pharmacophore- and Docking-Based Virtual Screening. J Med Chem. 2015 Oct 22;58(20):8166-81. doi: 10.1021/acs.jmedchem.5b01154. Epub 2015 Sep 30. PMID: 26390175.
2. Furihata M, Ohtsuki Y, Ido E, Iwata J, Sonobe H, Araki K, Ogoshi S, Ohmori K. HLA-DR antigen- and S-100 protein-positive dendritic cells in esophageal squamous cell carcinoma--their distribution in relation to prognosis. Virchows Arch B Cell Pathol Incl Mol Pathol. 1992;61(6):409-14. doi: 10.1007/BF02890444. PMID: 1349780.
1: Meng F, Cheng S, Ding H, Liu S, Liu Y, Zhu K, Chen S, Lu J, Xie Y, Li L, Liu R, Shi Z, Zhou Y, Liu YC, Zheng M, Jiang H, Lu W, Liu H, Luo C. Discovery and Optimization of Novel, Selective Histone Methyltransferase SET7 Inhibitors by Pharmacophore- and Docking-Based Virtual Screening. J Med Chem. 2015 Oct 22;58(20):8166-81. doi: 10.1021/acs.jmedchem.5b01154. Epub 2015 Sep 30. PubMed PMID: 26390175.
2: Furihata M, Ohtsuki Y, Ido E, Iwata J, Sonobe H, Araki K, Ogoshi S, Ohmori K. HLA-DR antigen- and S-100 protein-positive dendritic cells in esophageal squamous cell carcinoma--their distribution in relation to prognosis. Virchows Arch B Cell Pathol Incl Mol Pathol. 1992;61(6):409-14. PubMed PMID: 1349780.