NCGC00244536 | CAS#2003260-55-5 | KDM4 inhibitor

MedKoo Cat#: 561403 | Name: NCGC00244536

Description:

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

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

NCGC00244536

CAS#2003260-55-5

Theoretical Analysis

MedKoo Cat#: 561403

Name: NCGC00244536

CAS#: 2003260-55-5

Chemical Formula: C25H22N2O2

Exact Mass: 382.1681

Molecular Weight: 382.46

Elemental Analysis: C, 78.51; H, 5.80; N, 7.32; O, 8.37

Price and Availability

Size	Price	Availability
5mg	USD 150.00	Ready to ship
10mg	USD 250.00	Ready to ship
25mg	USD 450.00	Ready to ship
50mg	USD 750.00	Ready to ship
100mg	USD 1,250.00	Ready to ship
200mg	USD 2,050.00	Ready to ship

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Related CAS #

No Data

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

Product Data

Product Data

Certificate of Analysis

View CoA: current batch, Lot# A22T02K20

QC Data

View QC data: current batch, Lot# A22T02K20

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

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

	Solvent	mg/mL	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

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

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.

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:

In vivo protocol:

TBD

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.