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GSK3368715 3HCl

CAT: 0957-S8858-10mM/1mLSize: 10 mM/1mLDry Ice: NoHazardous: No
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CAT#:0957-S8858-10mM/1mLSize:10 mM/1mL
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2227587-26-8
Synonyms
EPZ019997 3HCl
Target
PRMT
Applications
Epigenetics
Smiles
Cl.Cl.Cl.CCOCC1 (CCC (CC1) C2=N[NH]C=C2CN (C) CCNC) COCC
Molecular Formula
C20H41Cl3N4O2
Additionnal Information
GSK3368715 3HCl is a potent inhibitor of type I protein arginine methyltransferases (PRMT) that inhibits PRMT1, 3, 4, 6 and 8 with Kiapp vaules ranging from 1.5 to 81 nM.
Storage Conditions
3 years -20°C powder

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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