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Mocetinostat

CAT: 0013-GTR19173798-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173798-02Size:25 mg
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Description
Mocetinostat
CAS Number
726169-73-9
Product Name Alternative
MGCD0103
Field of Research
Epigenetics & Chromatin, Neuroscience
Purity
>98%
Bioactivity
Class I HDAC inhibitor
Form
Powder
Solubility
Soluble in DMSO (up to 25 mg/ml)
Smiles
N (CC1=CC=C (C (NC2=C (N) C=CC=C2) =O) C=C1) C=3N=C (C=CN3) C=4C=CC=NC4
Molecular Formula
C23H20N6O
Molecular Weight
396.44
Storage Conditions
RT
Notes
For research use only.
Other Product Names
N- (2-Aminophenyl) -4-[ (4-pyridin-3-ylpyrimidin-2-ylamino) methyl]benzamide

Chemical Information

Mocetinostat

Mocetinostat has been used in trials studying the treatment of Lymphoma, Urothelial Carcinoma, Relapsed and Refractory, Myelodysplastic Syndrome, and Metastatic Leiomyosarcoma, among others.

CAS Number726169-73-9
PubChem CID9865515
IUPAC NameN-(2-aminophenyl)-4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide
Molecular FormulaC23H20N6O
Molecular Weight396.4
XLogP2.8
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity538
SMILES
C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC3=NC=CC(=N3)C4=CN=CC=C4
InChI
InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)
InChIKey
HRNLUBSXIHFDHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mocetinostat
CAS: 726169-73-9
CID: 9865515
Formula: C23H20N6O
MW: 396.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.4
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass396.16985928
Monoisotopic Mass396.16985928
Topological Polar Surface Area106 Ų
Heavy Atom Count30
Formal Charge0
Complexity538
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

Alternative Products

CatalogName
164995Mocetinostat
MBS8506190-01MGCD0103 (Mocetinostat)
27109Mocetinostat (MGCD0103)

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