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MC3343

CAT: 0013-GTR19154050-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154050-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MC3343 (MC-3343) is a novel potent, non-nucleoside DNA methyltransferase (DNMT) inhibitor with IC50 of 5.7 and 1.7 uM for DNMT1 and DNMT3a.
CAS Number
1535187-91-7
Purity
>98%
Smiles
O=C (C1C ([H]) =C ([H]) C ([H]) =C (C=1[H]) N ([H]) C1=C ([H]) C ([H]) =NC2=C ([H]) C ([H]) =C ([H]) C ([H]) =C12) N ([H]) C1=C ([H]) C ([H]) =C ([H]) C (=C1[H]) N ([H]) C1C ([H]) =C (C ([H]) ([H]) [H]) N=C (N ([H]) [H]) N=1
Molecular Formula
C27H23N7O
Molecular Weight
461.5178
Notes
For research use only.

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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