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PTACH

CAT: 0804-HY-12954-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-12954-04Size:10 mg
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Description
PTACH (NCH-51) is a potent HDAC inhibitor with IC50s of 48 nM, 32 nM, and 41 nM for HDAC1, HDAC4, and HDAC6, respectively. PTACH exerts potent growth inhibition against various cancer cells (EC50s of 1.1-9.1 μM) [1][2].
CAS Number
848354-66-5
Product Name Alternative
NCH-51
UNSPSC
12352005
Hazard Statement
H318, H413
Target
HDAC; HIV
Type
Reference compound
Related Pathways
Anti-infection; Cell Cycle/DNA Damage; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer; Infection
Assay Protocol
https://www.medchemexpress.com/PTACH.html
Purity
99.65
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
CC(C)C(SCCCCCCC(NC1=NC(C2=CC=CC=C2)=CS1)=O)=O
Molecular Formula
C20H26N2O2S2
Molecular Weight
390.56
Precautions
H318, H413
References & Citations
[1]Suzuki T, et al. Novel inhibitors of human histone deacetylases: design, synthesis, enzyme inhibition, and cancer cell growth inhibition of SAHA-based non-hydroxamates. J Med Chem. 2005 Feb 24;48 (4) :1019-1032.|[2]Ann Florence B Victoriano, et al. Novel histone deacetylase inhibitor NCH-51 activates latent HIV-1 gene expression. FEBS Lett. 2011 Apr 6;585 (7) :1103-11.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
HDAC1; HDAC4; HDAC6; HIV-1

Chemical Information

Ptach

2-methylpropanethioic acid S-[7-oxo-7-[(4-phenyl-2-thiazolyl)amino]heptyl] ester is an aromatic amide.

CAS Number848354-66-5
PubChem CID11395181
IUPAC NameS-[7-oxo-7-[(4-phenyl-1,3-thiazol-2-yl)amino]heptyl] 2-methylpropanethioate
Molecular FormulaC20H26N2O2S2
Molecular Weight390.6
XLogP5.1
Topological Polar Surface Area113
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count26
Formal Charge0
Complexity440
SMILES
CC(C)C(=O)SCCCCCCC(=O)NC1=NC(=CS1)C2=CC=CC=C2
InChI
InChI=1S/C20H26N2O2S2/c1-15(2)19(24)25-13-9-4-3-8-12-18(23)22-20-21-17(14-26-20)16-10-6-5-7-11-16/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3,(H,21,22,23)
InChIKey
MDYDGUOQFUQOGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ptach
CAS: 848354-66-5
CID: 11395181
Formula: C20H26N2O2S2
MW: 390.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.6
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass390.14357042
Monoisotopic Mass390.14357042
Topological Polar Surface Area113 Ų
Heavy Atom Count26
Formal Charge0
Complexity440
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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