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Tacedinaline

CAT: 0804-HY-50934-03Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-50934-03Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tacedinaline (N-acetyldinaline) is an inhibitor of the histone deacetylase (HDAC) with IC50s of 0.9, 0.9, 1.2 μM for recombinant HDAC 1, 2 and 3 respectively.
CAS Number
112522-64-2
Product Name Alternative
N-acetyldinaline; CI-994; Goe-5549
UNSPSC
12352005
Hazard Statement
H319
Target
Apoptosis; HDAC
Type
Reference compound
Related Pathways
Apoptosis; Cell Cycle/DNA Damage; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/CI-994.html
Purity
99.32
Solubility
DMSO : ≥ 50 mg/mL
Smiles
O=C(NC1=C(N)C=CC=C1)C2=CC=C(NC(C)=O)C=C2
Molecular Formula
C15H15N3O2
Molecular Weight
269.30
Precautions
H319
References & Citations
[1]Moradei OM, et al. Novel aminophenyl benzamide-type histone deacetylase inhibitors with enhanced potency and selectivity. J Med Chem. 2007 Nov 15;50 (23) :5543-6.|[2]Loprevite M, etal. In vitro study of CI-994, a histone deacetylase inhibitor, in non-small cell lung cancer cell lines. Oncol Res. 2005;15 (1) :39-48.|[3]LoRusso PM, et al. Preclinical antitumor activity of CI-994. Invest New Drugs. 1996;14 (4) :349-56.|[4]Graziano MJ, et al. Immunotoxicity of the anticancer drug CI-994 in rats: effects on lymphoid tissue. Arch Toxicol. 1999 Apr-May;73 (3) :168-74.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 3
Isoform
HDAC1; HDAC2; HDAC3

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

Alternative Products

CatalogName
TRC-T004000-500MGTacedinaline
A4102-SCI994 (Tacedinaline)
S2818-1gTacedinaline (CI994)
A11964-200CI994 (Tacedinaline) 200mg
A11964-10CI994 (Tacedinaline) 10mg
A11964-500CI994 (Tacedinaline) 500mg
205997Tacedinaline (CI-994)
GTR19275177-01Tacedinaline-C9-acid
A11964-100CI994 (Tacedinaline) 100mg
A11964-50CI994 (Tacedinaline) 50mg

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