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DC_517

CAT: 0931-T15081-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T15081-04Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
500017-70-9
Target
DNA Methyltransferase
Related Pathways
Chromatin/Epigenetic
Bioactivity
DC_517 is an inhibitor of DNA methyltransferase 1 (DNMT1) (IC50: 1.7 μM; Kd: 0.91 μM) .
Smiles
CC(C)NCC(O)COC(Cn1c2ccccc2c2ccccc12)Cn1c2ccccc2c2ccccc12
Molecular Formula
C33H35N3O2
Molecular Weight
505.65
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-[1,3-Di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol

DC_517 is a member of the class of carbazoles that is 1,3-di(9H-carbazol-9-yl)propan-2-ol in which the hydroxy group is replaced by a 2-hydroxy-3-[(propan-2-yl)amino]propoxy group. It is a DNA methyltransferase 1 inhibitor (IC50 = 1.7 M). It has a role as an antineoplastic agent, an apoptosis inducer and an EC 2.1.1.37 [DNA (cytosine-5-)-methyltransferase] inhibitor. It is an ether, a secondary alcohol, a member of carbazoles, a secondary amino compound and a tertiary amino compound.

CAS Number500017-70-9
PubChem CID3713657
IUPAC Name1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol
Molecular FormulaC33H35N3O2
Molecular Weight505.6
XLogP6
Topological Polar Surface Area51.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count38
Formal Charge0
Complexity654
SMILES
CC(C)NCC(COC(CN1C2=CC=CC=C2C3=CC=CC=C31)CN4C5=CC=CC=C5C6=CC=CC=C64)O
InChI
InChI=1S/C33H35N3O2/c1-23(2)34-19-24(37)22-38-25(20-35-30-15-7-3-11-26(30)27-12-4-8-16-31(27)35)21-36-32-17-9-5-13-28(32)29-14-6-10-18-33(29)36/h3-18,23-25,34,37H,19-22H2,1-2H3
InChIKey
BLTONWSCODZCNA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[1,3-Di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol
CAS: 500017-70-9
CID: 3713657
Formula: C33H35N3O2
MW: 505.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.6
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass505.27292737
Monoisotopic Mass505.27292737
Topological Polar Surface Area51.4 Ų
Heavy Atom Count38
Formal Charge0
Complexity654
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

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CatalogName
BA4648-2DC_517

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