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MC3343

CAT: 0931-T203345-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T203345-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1535187-91-7
Target
DNA Methyltransferase
Related Pathways
Chromatin/Epigenetic
Purity
0.9973
Bioactivity
MC3343, a DNMT inhibitor with IC50 values of 5.7 μM for DNMT1 and 1.7 μM for DNMT3a, affects tumor proliferation by blocking osteosarcoma cells in the G1 or G2/M phase and induces osteogenic differentiation by specifically re-expressing genes that regulate this physiological process, and is able to show synergistic effects in combination with adriamycin and cisplatin (CDDP) .
Smiles
O=C(NC=1C=CC=C(C1)NC2=NC(=NC(=C2)C)N)C=3C=CC=C(C3)NC=4C=CN=C5C=CC=CC54
Molecular Formula
C27H23N7O
Molecular Weight
461.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(3-(2-Amino-6-methylpyrimidin-4-ylamino)phenyl)-3-(quinolin-4-ylamino)benzamide
CAS Number1535187-91-7
PubChem CID76318201
IUPAC NameN-[3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]-3-(quinolin-4-ylamino)benzamide
Molecular FormulaC27H23N7O
Molecular Weight461.5
XLogP4.8
Topological Polar Surface Area118
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity692
SMILES
CC1=CC(=NC(=N1)N)NC2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)NC4=CC=NC5=CC=CC=C54
InChI
InChI=1S/C27H23N7O/c1-17-14-25(34-27(28)30-17)32-20-8-5-9-21(16-20)33-26(35)18-6-4-7-19(15-18)31-24-12-13-29-23-11-3-2-10-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
InChIKey
GRGNBXUBKBUEDX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-(2-Amino-6-methylpyrimidin-4-ylamino)phenyl)-3-(quinolin-4-ylamino)benzamide
CAS: 1535187-91-7
CID: 76318201
Formula: C27H23N7O
MW: 461.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.5
XLogP34.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass461.19640838
Monoisotopic Mass461.19640838
Topological Polar Surface Area118 Ų
Heavy Atom Count35
Formal Charge0
Complexity692
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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MBS3602164MC3343
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