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CI994 (Tacedinaline) 50mg

CAT: 0628-A11964-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A11964-50Size:50 mg
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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
Loading 3D structure...
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

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Alternative Products

CatalogName
A4102-SCI994 (Tacedinaline)
S2818-1gTacedinaline (CI994)
TRC-T004000-500MGTacedinaline
HY-50934R-01Tacedinaline (Standard)
HY-176905Tacedinaline-C9-acid
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