MedKoo Cat#: 563643 | Name: DC-S100
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Description:

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

DC-S100 is a selective histone methyltransferase SET7 inhibitor.

Chemical Structure

DC-S100
DC-S100
CAS#178803-91-3

Theoretical Analysis

MedKoo Cat#: 563643

Name: DC-S100

CAS#: 178803-91-3

Chemical Formula: C15H14N2O5

Exact Mass: 302.0903

Molecular Weight: 302.29

Elemental Analysis: C, 59.60; H, 4.67; N, 9.27; O, 26.46

Price and Availability

Size Price Availability Quantity
5mg USD 90.00 Ready to Ship
10mg USD 150.00 Ready to Ship
25mg USD 250.00 Ready to Ship
50mg USD 450.00 Ready to Ship
100mg USD 750.00 Ready to Ship
200mg USD 1,350.00 Ready to Ship
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Related CAS #
No Data
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
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:
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/
In vivo activity:
TBD

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.

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:
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.
In vivo protocol:
TBD
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.