NCGC00244536
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MedKoo CAT#: 561403

CAS#: 2003260-55-5

Description: KDM4B-IN-B3, also know as NCGC00244536, is a novel KDM4 inhibitor. KDM4B-IN-B3 inhibits the in vivo growth of tumors derived from PC3 cells and ex vivo human PCa explants. Histone lysine demethylase KDM4/JMJD2s are overexpressed in many human tumors including prostate cancer (PCa).

Chemical Structure

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NCGC00244536
CAS# 2003260-55-5
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 561403
Name: NCGC00244536
CAS#: 2003260-55-5
Chemical Formula: C25H22N2O2
Exact Mass: 382.17
Molecular Weight: 382.460
Elemental Analysis: C, 78.51; H, 5.80; N, 7.32; O, 8.37

Price and Availability

Size Price Availability Quantity
5mg USD 95 Ready to ship
10mg USD 170 Ready to ship
25mg USD 350 Ready to ship
50mg USD 630 Ready to ship
100mg USD 1130 Ready to ship
200mg USD 1950 Ready to ship
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Synonym: KDM4B-IN-B3; KDM4B IN B3; KDM4BINB3; NCGC00244536; NCGC-00244536; NCGC 00244536;

IUPAC/Chemical Name: 3-(8-Hydroxyquinolin-6-yl)-N-(3-phenylpropyl)benzamide

InChi Key: NYKBXXGHEMXSBB-UHFFFAOYSA-N

InChi Code: InChI=1S/C25H22N2O2/c28-23-17-22(16-20-12-6-13-26-24(20)23)19-10-4-11-21(15-19)25(29)27-14-5-9-18-7-2-1-3-8-18/h1-4,6-8,10-13,15-17,28H,5,9,14H2,(H,27,29)

SMILES Code: O=C(NCCCC1=CC=CC=C1)C2=CC=CC(C3=CC(O)=C4N=CC=CC4=C3)=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: >2 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: 2934.99.9001

More Info:

Biological target: NCGC00244536 is a potent KDM4B inhibitor with an IC50 of 10 nM.
In vitro activity: This study tested the effect of these compounds on the growth of LNCaP cells (Fig. S1A) and selected NCGC00247751 (A1), NCGC00244536 (B3), and NCGC00247743 (I9), which inhibited LNCaP cell growth with IC50s in the μM range (Fig. 1A). These inhibitors suppressed the catalytic activity of KDM4B effectively and among them B3 was the most potent, with an IC50 of ca. 10 nM (Fig. 1B). Reference: Chem Biol. 2015 Sep 17;22(9):1185-96. https://pubmed.ncbi.nlm.nih.gov/26364928/
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMF 30.0 78.44
DMF:PBS (pH 7.2) (1:2) 0.3 0.86
DMSO 44.2 115.63
Ethanol 1.5 3.92

Preparing Stock Solutions

The following data is based on the product molecular weight 382.46 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. Duan L, Rai G, Roggero C, Zhang QJ, Wei Q, Ma SH, Zhou Y, Santoyo J, Martinez ED, Xiao G, Raj GV, Jadhav A, Simeonov A, Maloney DJ, Rizo J, Hsieh JT, Liu ZP. KDM4/JMJD2 Histone Demethylase Inhibitors Block Prostate Tumor Growth by Suppressing the Expression of AR and BMYB-Regulated Genes. Chem Biol. 2015 Sep 17;22(9):1185-96. doi: 10.1016/j.chembiol.2015.08.007. Epub 2015 Sep 10. PMID: 26364928; PMCID: PMC4578295.
In vitro protocol: 1. Duan L, Rai G, Roggero C, Zhang QJ, Wei Q, Ma SH, Zhou Y, Santoyo J, Martinez ED, Xiao G, Raj GV, Jadhav A, Simeonov A, Maloney DJ, Rizo J, Hsieh JT, Liu ZP. KDM4/JMJD2 Histone Demethylase Inhibitors Block Prostate Tumor Growth by Suppressing the Expression of AR and BMYB-Regulated Genes. Chem Biol. 2015 Sep 17;22(9):1185-96. doi: 10.1016/j.chembiol.2015.08.007. Epub 2015 Sep 10. PMID: 26364928; PMCID: PMC4578295.
In vivo protocol: TBD

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1: Duan L, Rai G, Roggero C, Zhang QJ, Wei Q, Ma SH, Zhou Y, Santoyo J, Martinez ED, Xiao G, Raj GV, Jadhav A, Simeonov A, Maloney DJ, Rizo J, Hsieh JT, Liu ZP. KDM4/JMJD2 Histone Demethylase Inhibitors Block Prostate Tumor Growth by Suppressing the Expression of AR and BMYB-Regulated Genes. Chem Biol. 2015 Sep 17;22(9):1185-96. doi: 10.1016/j.chembiol.2015.08.007. Epub 2015 Sep 10. PubMed PMID: 26364928; PubMed Central PMCID: PMC4578295.