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NCGC00247743

CAT: 0804-HY-112308-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-112308-01Size:5 mg
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Description
NCGC00247743 is a histone lysine demethylase KDM4 inhibitor.
CAS Number
1435192-04-3
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Histone Demethylase
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/NCGC00247743.html
Concentration
10mM
Purity
99.38
Solubility
DMSO : 62.5 mg/mL (ultrasonic)
Smiles
OC1=C(N=CC=C2)C2=CC(C3=CC(C(NCCCCCCN(C)C)=O)=CC=C3)=C1
Molecular Formula
C24H29N3O2
Molecular Weight
391.51
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Duan L, et al. 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.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
KDM4

Chemical Information

N-[6-(Dimethylamino)hexyl]-3-(8-hydroxyquinolin-6-yl)benzamide
CAS Number1435192-04-3
PubChem CID89564218
IUPAC NameN-[6-(dimethylamino)hexyl]-3-(8-hydroxyquinolin-6-yl)benzamide
Molecular FormulaC24H29N3O2
Molecular Weight391.5
XLogP4.2
Topological Polar Surface Area65.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity499
SMILES
CN(C)CCCCCCNC(=O)C1=CC=CC(=C1)C2=CC(=C3C(=C2)C=CC=N3)O
InChI
InChI=1S/C24H29N3O2/c1-27(2)14-6-4-3-5-12-26-24(29)20-10-7-9-18(15-20)21-16-19-11-8-13-25-23(19)22(28)17-21/h7-11,13,15-17,28H,3-6,12,14H2,1-2H3,(H,26,29)
InChIKey
RAUALYDCIUPMKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[6-(Dimethylamino)hexyl]-3-(8-hydroxyquinolin-6-yl)benzamide
CAS: 1435192-04-3
CID: 89564218
Formula: C24H29N3O2
MW: 391.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.5
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass391.22597718
Monoisotopic Mass391.22597718
Topological Polar Surface Area65.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity499
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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