Compound: Vorinostat
SMILES: O=C(NO)CCCCCCC(=O)Nc1ccccc1
InChIKey: WAEXFXRVDQXREF-UHFFFAOYSA-N
Synonyms: Vorinostat, 149647-78-9, SAHA, suberoylanilide hydroxamic acid, Zolinza, N-hydroxy-N'-phenyloctanediamide, Suberanilohydroxamic acid, N1-hydroxy-N8-phenyloctanediamide, MK-0683, MK0683, Octanediamide, N-hydroxy-N'-phenyl-, N'-hydroxy-N-phenyloctanediamide, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, vorinostatum, NSC-701852, NSC-748799, NSC-759852, MK 0683, 58IFB293JI, DTXSID6041133, NSC701852, DTXCID4021133, CHEBI:45716, NHNPODA, suberoyl anilide hydroxamic acid, N Hydroxy N' phenyloctanediamide, N1 Hydroxy N8 phenyloctanediamide, 18F-suberoylanilide hydroxamic acid, 18F Suberoylanilide Hydroxamic Acid, RefChem:389361, L01XX38, MSK-390, L-001079038, 682-505-1, Vorinostat (SAHA, MK0683), CCRIS 8456, N-Hyrdroxy-N'-phenyloctanediamide, MFCD00945317, Vorinostat (SAHA), SHH, CHEMBL98, 8-(hydroxyamino)-8-oxo-N-phenyl-octanamide, n-hydroxy-n'-phenyl-octanediamide, WIN64652, s1047, SAHA cpd, NCGC00168085-01, NCGC00168085-02, Vorinostat [USAN], Zolinza (TN) (Merck), N-hydroxy-N'-phenyl-octane-1,8-diotic acid diamide, Vorinostat MSD, SMR000486344, Zolinza (TN), CAS-149647-78-9, SR-05000000373, Vorinostat (JAN/USAN), Vorinostat [USAN:INN], UNII-58IFB293JI, SKI390, HSDB 7930, 4lxz, Vorinostat(SAHA), Zolinza; SAHA, Vorinostat (GMP), SAHA, Suberoylanilide hydroxamic acid, Vorinostat (SAHA)?, Vorinostat (Standard), 1zz1, VORINOSTAT [MI], TNFa + SAHA, SW-064652, VORINOSTAT [INN], VORINOSTAT [JAN], VORINOSTAT [VANDF], cid_5311, SCHEMBL9018, VORINOSTAT [MART.], VORINOSTAT [WHO-DD], Suberoylanilidehydroxamic Acid, MLS001065855, MLS006011941, GTPL6852, orb1308090, VORINOSTAT [ORANGE BOOK], BDBM19149, Vorinostat  - Bio-X trade mark, Vorinostat (SAHA; MK0683), SUBERANILOHYDROXAMINIC ACID, 1t69, N-hydroxy-N''-phenyloctanediamide, GLXC-05791, HMS2219L20, HMS3264D20, HMS3327C12, HMS3426G03, HMS3650D09, HMS3654G11, HMS3715E22, HMS3745M03, HMS5079I07, HMS6019F05, Pharmakon1600-01502267, EX-A2745, HVB74948, SAHA, >=98% (HPLC), Vorinostat,SAHA,Zolinza,MK-0683, Tox21_112605, Tox21_113623, Vorinostat,CAS:149647-78-9, EBC-11271, HB1396, HY-10221G, HY-10221R, NSC748799, NSC759852, Octanediamide, N1-hydroxy-N8-phenyl, SK1390, AKOS015966648, Tox21_112605_1, AC-1923, CCG-208659, CS-0589, DB02546, DG-0025, FH15949, NSC 701852, NSC 748799, NSC 759852, SB17319, N~1~-Hydroxy-N~8~-phenyloctanediamide, NCGC00168085-03, NCGC00168085-04, NCGC00168085-05, NCGC00168085-13, BP-25652, BP-30216, BV164560, HY-10221, SY009383, H1388, NS00068618, SW199536-4, D06320, EN300-120641, M06303, AB00375377-07, AB00375377-08, AB00375377-09, AB01644613_25, Q905901, Vorinostat, SAHA, suberoylanilide hydroxamic acid, SR-05000000373-2, SR-05000000373-6, SR-05000000373-8, BRD-K81418486-001-01-2, BRD-K81418486-001-10-3, BRD-K81418486-001-12-9, BRD-K81418486-001-13-7, BRD-K81418486-001-17-8, BRD-K81418486-001-18-6, BRD-K81418486-001-44-2, BRD-K81418486-001-47-5, Z1530532755, N-Hydroxy-N inverted exclamation mark -phenyloctanediamide, 1227736-21-1
Theoretical properties:
molecular_formula: C14H20N2O3
molecular_weight: 264.32 g/mol
exact_mass: 264.14739250 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 8
heavy_atom_count: 19
topological_polar_surface_area: 78.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: White to light orange powder
color: White to light orange powder
melting_point: 159-160.5 °C
solubility: Slightly soluble in ethanol, isopropanol and acetone; freely soluble in dimethylsulfide; insoluble in methylene chloride
Descriptions:
pubchem: Vorinostat is a dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL). It has a role as an antineoplastic agent, an EC 3.5.1.98 (histone deacetylase) inhibitor and an apoptosis inducer. It is a hydroxamic acid and a dicarboxylic acid diamide. It is functionally related to a hydroxylamine, an aniline and a suberic acid.
chebi: A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and  hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL).
chembl: VORINOSTAT is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Vorinostat (rINN), also known as suberoylanilide hydroxamic acid  (suberoyl+anilide+hydroxamic acid abbreviated as SAHA), is a member of a larger class of compounds that inhibit histone deacetylases (HDAC).  Histone deacetylase inhibitors (HDI) have a broad spectrum of epigenetic activities.
Vorinostat is marketed under the name Zolinza ( zoh-LIN-zə) by Merck for the treatment of cutaneous manifestations in patients with cutaneous T cell lymphoma (CTCL) when the disease persists, gets worse, or comes back during or after two systemic therapies. The compound was developed by Columbia University chemist Ronald Breslow and Memorial Sloan-Kettering researcher Paul Marks.