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Tucidinostat

CAT: 0804-HY-109015-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-109015-01Size:5 mg
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Description
Tucidinostat (Chidamide) is a potent and orally bioavailable HDAC enzymes class I (HDAC1/2/3) and class IIb (HDAC10) inhibitor, with IC50s of 95, 160, 67 and 78 nM, less active on HDAC8 and HDAC11 (IC50s, 733 nM, 432 nM, respectively), and shows no effect on HDAC4/5/6/7/9[1].
CAS Number
1616493-44-7
Product Name Alternative
Chidamide; HBI-8000; CS 055
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
HDAC
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/Tucidinostat.html
Purity
98.60
Solubility
DMSO : 50 mg/mL (ultrasonic) |Ethanol : 1 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(C1=CC=C(CNC(/C=C/C2=CN=CC=C2)=O)C=C1)NC(C=CC(F)=C3)=C3N
Molecular Formula
C22H19FN4O2
Molecular Weight
390.41
Precautions
H302, H315, H319, H335
References & Citations
[1]Ning ZQ, et al. Chidamide (CS055/HBI-8000) : a new histone deacetylase inhibitor of the benzamide class with antitumor activity and the ability to enhance immune cell-mediated tumor cell cytotoxicity. Cancer Chemother Pharmacol. 2012 Apr;69 (4) :901-9.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
HDAC1; HDAC10; HDAC11; HDAC2; HDAC3; HDAC8

Chemical Information

Tucidinostat

Chidamide is a member of benzamides.

CAS Number1616493-44-7
PubChem CID12136798
IUPAC NameN-(2-amino-4-fluorophenyl)-4-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide
Molecular FormulaC22H19FN4O2
Molecular Weight390.4
XLogP2.3
Topological Polar Surface Area97.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity577
SMILES
C1=CC(=CN=C1)/C=C/C(=O)NCC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)F)N
InChI
InChI=1S/C22H19FN4O2/c23-18-8-9-20(19(24)12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+
InChIKey
SZMJVTADHFNAIS-BJMVGYQFSA-N
Chemical Structure
2D Structure
2D structure of Tucidinostat
CAS: 1616493-44-7
CID: 12136798
Formula: C22H19FN4O2
MW: 390.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.4
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass390.14920402
Monoisotopic Mass390.14920402
Topological Polar Surface Area97.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity577
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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