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DCG066

CAT: 0931-T27132-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T27132-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
494786-13-9
Target
Apoptosis, Histone Methyltransferase
Related Pathways
Chromatin/Epigenetic, Apoptosis
Purity
0.9838
Bioactivity
DCG066 is an inhibitor of lysine methyltransferase G9a with anticancer activity.DCG066 inhibits the proliferation of MM cells and induces iron death through the Nrf2/HO-1 pathway and can be used in the study of leukemias.
Smiles
O=C(NC1=CC=C(C=C1)CN2CCC(CC2)C(O)(C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)C(F)(F)F)N(C)C
Molecular Formula
C30H31F6N3O2
Molecular Weight
579.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N'-[4-[[4-[Hydroxybis[4-(trifluoromethyl)phenyl]methyl]-1-piperidinyl]methyl]phenyl]-N,N-dimethyl-urea
CAS Number494786-13-9
PubChem CID11837558
IUPAC Name3-[4-[[4-[hydroxy-bis[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]phenyl]-1,1-dimethylurea
Molecular FormulaC30H31F6N3O2
Molecular Weight579.6
XLogP5.8
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity800
SMILES
CN(C)C(=O)NC1=CC=C(C=C1)CN2CCC(CC2)C(C3=CC=C(C=C3)C(F)(F)F)(C4=CC=C(C=C4)C(F)(F)F)O
InChI
InChI=1S/C30H31F6N3O2/c1-38(2)27(40)37-26-13-3-20(4-14-26)19-39-17-15-23(16-18-39)28(41,21-5-9-24(10-6-21)29(31,32)33)22-7-11-25(12-8-22)30(34,35)36/h3-14,23,41H,15-19H2,1-2H3,(H,37,40)
InChIKey
PMPKMTDYPOAEEH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N'-[4-[[4-[Hydroxybis[4-(trifluoromethyl)phenyl]methyl]-1-piperidinyl]methyl]phenyl]-N,N-dimethyl-urea
CAS: 494786-13-9
CID: 11837558
Formula: C30H31F6N3O2
MW: 579.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight579.6
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass579.23204621
Monoisotopic Mass579.23204621
Topological Polar Surface Area55.8 Ų
Heavy Atom Count41
Formal Charge0
Complexity800
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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