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HC Toxin

CAT: 0013-GTR19191854-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191854-01Size:500 µg
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Description
HC Toxin is a potent, cell-permeable cyclic tetrapeptide HDAC inhibitor (IC50 = 30 nM) . It upregulates 15-lipoxygenase-1 in colorectal cancer cells and induces fetal hemoglobin in erythroid cells, making it a valuable tool for epigenetic, cancer, and hemoglobinopathy research in vitro.
CAS Number
83209-65-8
Field of Research
Cell Biology, Epigenetics & Chromatin, Infectious Disease & Virology, Molecular Biology
Smiles
C[C@H]1NC (=O) [C@H] (CCCCCC (=O) [C@@H]2CO2) NC (=O) [C@H]2CCCN2C (=O) [C@H] (C) NC1=O
Molecular Formula
C21H32N4O6
Molecular Weight
436.509
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

HC-toxin

helminthosporium carbonum toxin i has been reported in Bipolaris zeicola with data available.

CAS Number83209-65-8
PubChem CID13889849
IUPAC Name(3S,6R,9S,12R)-6,9-dimethyl-3-[6-[(2S)-oxiran-2-yl]-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Molecular FormulaC21H32N4O6
Molecular Weight436.5
XLogP-0.1
Topological Polar Surface Area137
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity741
SMILES
C[C@@H]1C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N1)C)CCCCCC(=O)[C@@H]3CO3
InChI
InChI=1S/C21H32N4O6/c1-12-18(27)22-13(2)19(28)24-14(7-4-3-5-9-16(26)17-11-31-17)21(30)25-10-6-8-15(25)20(29)23-12/h12-15,17H,3-11H2,1-2H3,(H,22,27)(H,23,29)(H,24,28)/t12-,13+,14-,15+,17-/m0/s1
InChIKey
GNYCTMYOHGBSBI-SVZOTFJBSA-N
Chemical Structure
2D Structure
2D structure of HC-toxin
CAS: 83209-65-8
CID: 13889849
Formula: C21H32N4O6
MW: 436.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.5
XLogP3-0.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass436.23218475
Monoisotopic Mass436.23218475
Topological Polar Surface Area137 Ų
Heavy Atom Count31
Formal Charge0
Complexity741
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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