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DC_C66

CAT: 0931-T10967-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T10967-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
108181-00-6
Target
Others, Histone Methyltransferase
Related Pathways
Chromatin/Epigenetic, Others
Bioactivity
DC_C66 DC_C66 has good selectivity for CARM1, PRMT1 (IC50 = 21μM), PRMT6 (IC50 = 47μM) and PRMT5. It is a cell-permeable, selective co-activator related arginine methyltransferase 1 (CARM1) inhibitor with IC50 of 1.8 μM.
Smiles
C(OCC)(=O)C=1C2=C(C=3C(C=4C2=CC=CC4)=CC=CC3)C=C5[N+]1CCC=6C5=CC=CC6
Molecular Formula
C28H22NO2
Molecular Weight
404.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

9-(ethoxycarbonyl)-11H,12H-dibenzo[f,h]isoquino[2,1-b]isoquinolinium
CAS Number108181-00-6
PubChem CID7315371
IUPAC Nameethyl 25-azoniahexacyclo[12.12.0.02,7.08,13.016,25.017,22]hexacosa-1(26),2,4,6,8,10,12,14,16(25),17,19,21-dodecaene-26-carboxylate
Molecular FormulaC28H22NO2+
Molecular Weight404.5
XLogP6.1
Topological Polar Surface Area30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge1
Complexity663
SMILES
CCOC(=O)C1=C2C3=CC=CC=C3C4=CC=CC=C4C2=CC5=[N+]1CCC6=CC=CC=C65
InChI
InChI=1S/C28H22NO2/c1-2-31-28(30)27-26-23-14-8-7-12-21(23)20-11-5-6-13-22(20)24(26)17-25-19-10-4-3-9-18(19)15-16-29(25)27/h3-14,17H,2,15-16H2,1H3/q+1
InChIKey
DIVJVPWHSSAIPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-(ethoxycarbonyl)-11H,12H-dibenzo[f,h]isoquino[2,1-b]isoquinolinium
CAS: 108181-00-6
CID: 7315371
Formula: C28H22NO2+
MW: 404.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.5
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass404.165053945
Monoisotopic Mass404.165053945
Topological Polar Surface Area30.2 Ų
Heavy Atom Count31
Formal Charge1
Complexity663
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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A20497-5DC_C66 5mg
A20497-100DC_C66 100mg
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A20497-50DC_C66 50mg
A20497-10DC_C66 10mg

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