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Rocilinostat (ACY-1215)

CAT: 0607-A4083-SSize: Evaluation SampleDry Ice: NoHazardous: No
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Description
Selective HDAC6 inhibitor
CAS Number
1316214-52-4
Product Name Alternative
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide
Field of Research
Ubiquitination Proteasome Autophagy Chromatin Epigenetics HDAC DNA Damage DNA Repair HDAC
Purity
0.994
Solubility
≥21.675 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH
Smiles
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO
Molecular Formula
C24H27N5O3
Molecular Weight
433.5
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Ricolinostat

Ricolinostat is a member of the class of pyrimidines that is pyrimidine substituted by diphenylamino and [7-(hydroxyamino)-7-oxoheptyl]aminocarbonyl groups at positions 2 and 5, respectively. It is a histone deacetylase 6 inhibitor with potential antineoplastic activity. It has a role as an antineoplastic agent, an EC 3.5.1.98 (histone deacetylase) inhibitor, an anti-inflammatory agent and an apoptosis inducer. It is a secondary carboxamide, a hydroxamic acid, a pyrimidinecarboxamide, a substituted aniline and a tertiary amino compound.

CAS Number1316214-52-4
PubChem CID53340666
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide
Molecular FormulaC24H27N5O3
Molecular Weight433.5
XLogP3.4
Topological Polar Surface Area107
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity538
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO
InChI
InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
InChIKey
QGZYDVAGYRLSKP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ricolinostat
CAS: 1316214-52-4
CID: 53340666
Formula: C24H27N5O3
MW: 433.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.5
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass433.21138974
Monoisotopic Mass433.21138974
Topological Polar Surface Area107 Ų
Heavy Atom Count32
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

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