Mocetinostat

C₂₃H₂₀N₆OCAS 726169-73-9396.45 g/mol

Open in Covalent MOL file

Amide Primary amine Secondary amine

Properties

Molecular formula: C₂₃H₂₀N₆O
Molar mass: 396.45 g/mol
Exact mass: 396.1699 Da
logP: 3.99Crippen estimate
Polar surface area: 105.8 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 6

Hazards

Danger

H317 May cause an allergic skin reaction35.3% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled88.2% of notifiers

Aggregated from 17 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, P501

Identifiers

CAS number

726169-73-9

SMILES

Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1

InChIKey

HRNLUBSXIHFDHP-UHFFFAOYSA-N

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

MGCD 0103
MG 0103
Benzamide, N-(2-aminophenyl)-4-[[[4-(3-pyridinyl)-2-pyrimidinyl]amino]methyl]-
N-(2-Aminophenyl)-4-[[[4-(3-pyridinyl)-2-pyrimidinyl]amino]methyl]benzamide

Work with Mocetinostat

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Mocetinostat9003-99-0

Similar compounds

4-(Chloromethyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)benzamide404844-11-751 % similar Entinostat209783-80-249 % similar N-Desmethyl imatinib404844-02-648 % similar Imatinib152459-95-547 % similar 4-[(4-Methyl-4-oxidopiperazin-4-ium-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide571186-91-944 % similar Imatinib mesylate220127-57-142 % similar 4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzoic acid641569-94-042 % similar Ethyl 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoate641569-97-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Lgk-9741243244-14-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia