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Tacedinaline (CI994)

CAT: 0244-S2818-1gSize: 1 gDry Ice: NoHazardous: No
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CAS Number
112522-64-2

Chemical Information

Tacedinaline

Tacedinaline is a benzamide obtained by formal condensation of the carboxy group of 4-acetamidobenzoic acid with one of the amino groups of 1,2-phenylenediamine. An oral cytostatic drug with impressive differential activity against leukemic cells and normal stem-cells. Also used in combination therapy for selected tumors including non-smoll cell lung, pancreatic, breast, and colorectal cancers. It has a role as an antineoplastic agent and an EC 3.5.1.98 (histone deacetylase) inhibitor. It is a member of acetamides, a member of benzamides and a substituted aniline. It is functionally related to a 1,2-phenylenediamine.

CAS Number112522-64-2
PubChem CID2746
IUPAC Name4-acetamido-N-(2-aminophenyl)benzamide
Molecular FormulaC15H15N3O2
Molecular Weight269.30
XLogP1.3
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity351
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N
InChI
InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
InChIKey
VAZAPHZUAVEOMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tacedinaline
CAS: 112522-64-2
CID: 2746
Formula: C15H15N3O2
MW: 269.30
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.30
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass269.116426730
Monoisotopic Mass269.116426730
Topological Polar Surface Area84.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity351
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
A4102-SCI994 (Tacedinaline)
C08885-50mgTacedinaline (CI994)
A11964-200CI994 (Tacedinaline) 200mg
A11964-10CI994 (Tacedinaline) 10mg
A11964-500CI994 (Tacedinaline) 500mg
A11964-100CI994 (Tacedinaline) 100mg
A11964-50CI994 (Tacedinaline) 50mg
A11964-5CI994 (Tacedinaline) 5mg
A11964-10mM-DCI994 (Tacedinaline) 10mM * 1mL in DMSO
TRC-T004000-500MGTacedinaline

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