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ACY-241

CAT: 0926-RCC21512-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-RCC21512-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1316215-12-9
MDL Number
MFCD28023593
Smiles
C1=CC=C (C=C1) N (C2=CC=CC=C2Cl) C3=NC=C (C=N3) C (=O) NCCCCCCC (=O) NO
Molecular Formula
C24H26ClN5O3
Molecular Weight
467.95 g/mol
Controlled
No

Chemical Information

Citarinostat

Citarinostat is under investigation in clinical trial NCT02886065 (A Study of PVX-410, a Cancer Vaccine, and Citarinostat +/- Lenalidomide for Smoldering MM).

CAS Number1316215-12-9
PubChem CID53340426
IUPAC Name2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide
Molecular FormulaC24H26ClN5O3
Molecular Weight467.9
XLogP4.1
Topological Polar Surface Area107
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count33
Formal Charge0
Complexity597
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2Cl)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO
InChI
InChI=1S/C24H26ClN5O3/c25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33/h3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31)
InChIKey
VLIUIBXPEDFJRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Citarinostat
CAS: 1316215-12-9
CID: 53340426
Formula: C24H26ClN5O3
MW: 467.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.9
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass467.1724174
Monoisotopic Mass467.1724174
Topological Polar Surface Area107 Ų
Heavy Atom Count33
Formal Charge0
Complexity597
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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Alternative Products

CatalogName
M11281-01ACY-241
C13435-01Citarinostat (ACY-241)
A12758-25Citarinostat (ACY-241) 25mg
A12758-50Citarinostat (ACY-241) 50mg
A12758-5Citarinostat (ACY-241) 5mg
A12758-100Citarinostat (ACY-241) 100mg
A12758-10Citarinostat (ACY-241) 10mg
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