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RG3039 - 2mM in DMSO, high purity , CAS No.1005504-62-0
DNA/RNA Synthesis Inhibitors
Basic Description
Synonyms
1005504-62-0 | Rg3039 | D-157495 | RG3039(PF-06687859) | 2,4-Quinazolinediamine, 5-((1-((2,6-dichlorophenyl)methyl)-4-piperidinyl)methoxy)- | KSV93L7URW | RG-3039 | PF-6687859 Free | CHEMBL4072132 | D157495 | 5-[[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoli
Specifications & Purity
2mM in DMSO
Biochemical and Physiological Mechanisms
RG3039 (PF-06687859, PF 6687859, Quinazoline 495) is an orally bioavailable and brain-penetrant inhibitor of the mRNA decapping enzyme DcpS with IC50 of 4.2 nM and IC90 of 40 nM, respectively.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Information
RG3039 RG3039 (PF-06687859, PF 6687859, Quinazoline 495) is an orally bioavailable and brain-penetrant inhibitor of the mRNA decapping enzyme DcpS with IC50 of 4.2 nM and IC90 of 40 nM, respectively.
Targets
DcpS (Cell-free assay); DcpS (Cell-free assay) 4.2 nM; 40 nM(IC90)
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Benzylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
N-benzylpiperidines
Alternative Parents
Quinazolinamines Phenylmethylamines Phenol ethers Dichlorobenzenes Benzylamines Alkyl aryl ethers Aminopyrimidines and derivatives Aralkylamines Imidolactams Aryl chlorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organochlorides Organopnictogen compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-benzylpiperidine - Quinazolinamine - Diazanaphthalene - Quinazoline - Benzylamine - 1,3-dichlorobenzene - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Halobenzene - Aralkylamine - Pyrimidine - Imidolactam - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Primary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Product Properties
ALogP
4.539
HBD Count
2
Rotatable Bond
5
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
5-[[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
INCHI
InChI=1S/C21H23Cl2N5O/c22-15-3-1-4-16(23)14(15)11-28-9-7-13(8-10-28)12-29-18-6-2-5-17-19(18)20(24)27-21(25)26-17/h1-6,13H,7-12H2,(H4,24,25,26,27)
InChIKey
MNLHFGXIUJNDAF-UHFFFAOYSA-N
Smiles
C1CN(CCC1COC2=CC=CC3=C2C(=NC(=N3)N)N)CC4=C(C=CC=C4Cl)Cl
Isomeric SMILES
C1CN(CCC1COC2=CC=CC3=C2C(=NC(=N3)N)N)CC4=C(C=CC=C4Cl)Cl
PubChem CID
53258905
Molecular Weight
432.35
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
DMSO(mg / mL) Max Solubility
3
DMSO(mM) Max Solubility
6.93882271307968
Water(mg / mL) Max Solubility
＜1
Molecular Weight
432.300 g/mol
XLogP3
4.300
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
5
Exact Mass
431.128 Da
Monoisotopic Mass
431.128 Da
Topological Polar Surface Area
90.300 Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
511.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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