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GSK3368715 3HCl

CAT: 0013-GTR19201857-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201857-01Size:50 mg
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Description
GSK3368715 is a potent and selective small molecule inhibitor of Type I PRMTs (PRMT1, 3, 4, 6, 8) with inhibition constants (Kiapp) between 1.5 and 81 nM. This tool compound is widely used in oncology and epigenetics research to probe PRMT function in cellular assays and in vivo models, supporting investigations into cancer and other diseases.
CAS Number
2227587-26-8
Field of Research
Epigenetics & Chromatin
Smiles
Cl.Cl.Cl.CCOCC1 (COCC) CCC (CC1) c1n[nH]cc1CN (C) CCNC
Molecular Formula
C20H41Cl3N4O2
Molecular Weight
475.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N'-[[5-[4,4-Bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;trihydrochloride
CAS Number2227587-26-8
PubChem CID146674221
IUPAC NameN'-[[5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;trihydrochloride
Molecular FormulaC20H41Cl3N4O2
Molecular Weight475.9
Topological Polar Surface Area62.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count29
Formal Charge0
Complexity365
SMILES
CCOCC1(CCC(CC1)C2=C(C=NN2)CN(C)CCNC)COCC.Cl.Cl.Cl
InChI
InChI=1S/C20H38N4O2.3ClH/c1-5-25-15-20(16-26-6-2)9-7-17(8-10-20)19-18(13-22-23-19)14-24(4)12-11-21-3;;;/h13,17,21H,5-12,14-16H2,1-4H3,(H,22,23);3*1H
InChIKey
KBFPGRMCKLUHTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N'-[[5-[4,4-Bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;trihydrochloride
CAS: 2227587-26-8
CID: 146674221
Formula: C20H41Cl3N4O2
MW: 475.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass474.229510
Monoisotopic Mass474.229510
Topological Polar Surface Area62.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity365
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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