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DW14800

CAT: 0931-T11131-05Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T11131-05Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2243709-60-4
Target
Histone Methyltransferase
Related Pathways
Chromatin/Epigenetic
Purity
0.9968
Bioactivity
DW14800 is an inhibitor of PRMT5 (IC50 = 17 nM), enhances the transcription of HNF4α, and reduces the level of H4R3me2s.
Smiles
C(=O)(N1CC=2C(=CC(C(NCC(CN3CC=4C(CC3)=CC=CC4)O)=O)=CC2)CC1)C5=CC=C(N(C)C)C=C5
Molecular Formula
C31H36N4O3
Molecular Weight
512.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 138454790
CAS Number2243709-60-4
PubChem CID138454790
IUPAC NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(dimethylamino)benzoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
Molecular FormulaC31H36N4O3
Molecular Weight512.6
XLogP3.3
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity798
SMILES
CN(C)C1=CC=C(C=C1)C(=O)N2CCC3=C(C2)C=CC(=C3)C(=O)NCC(CN4CCC5=CC=CC=C5C4)O
InChI
InChI=1S/C31H36N4O3/c1-33(2)28-11-9-23(10-12-28)31(38)35-16-14-24-17-25(7-8-27(24)20-35)30(37)32-18-29(36)21-34-15-13-22-5-3-4-6-26(22)19-34/h3-12,17,29,36H,13-16,18-21H2,1-2H3,(H,32,37)
InChIKey
MQBNHAAEDHNZCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 138454790
CAS: 2243709-60-4
CID: 138454790
Formula: C31H36N4O3
MW: 512.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.6
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass512.27874102
Monoisotopic Mass512.27874102
Topological Polar Surface Area76.1 Ų
Heavy Atom Count38
Formal Charge0
Complexity798
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA4868-5DW14800
A18491-25DW14800 25mg
A18491-100DW14800 100mg
A18491-10DW14800 10mg
A18491-2DW14800 2mg
A18491-50DW14800 50mg
A18491-5DW14800 5mg
A18491-1DW14800 1mg
A18491-10mM-DDW14800 10mM * 1mL in DMSO

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