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PF1070A

CAT: 0931-T70591-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70591-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
146556-41-4
Target
Others
Related Pathways
Others
Bioactivity
PF1070A is a natural cyclic tetrapeptide HDAC Inhibitor through the inhibition of PfHDAC1 catalytic activity, potently inducing the synthesis of metallothionein.
Smiles
O=C1N2C(C(=O)NC(CCCCCC(=O)C3CO3)C(=O)NC(CC4=CC=CC=C4)C(=O)NC1C(CC)C)CCCC2
Molecular Formula
C31H44N4O6
Molecular Weight
568.7
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-Benzyl-3-butan-2-yl-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
CAS Number146556-41-4
PubChem CID9872767
IUPAC Name6-benzyl-3-butan-2-yl-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
Molecular FormulaC31H44N4O6
Molecular Weight568.7
XLogP3.2
Topological Polar Surface Area137
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count41
Formal Charge0
Complexity951
SMILES
CCC(C)C1C(=O)N2CCCCC2C(=O)NC(C(=O)NC(C(=O)N1)CC3=CC=CC=C3)CCCCCC(=O)C4CO4
InChI
InChI=1S/C31H44N4O6/c1-3-20(2)27-31(40)35-17-11-10-15-24(35)30(39)32-22(14-8-5-9-16-25(36)26-19-41-26)28(37)33-23(29(38)34-27)18-21-12-6-4-7-13-21/h4,6-7,12-13,20,22-24,26-27H,3,5,8-11,14-19H2,1-2H3,(H,32,39)(H,33,37)(H,34,38)
InChIKey
IEIMOAHNLVBBHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Benzyl-3-butan-2-yl-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
CAS: 146556-41-4
CID: 9872767
Formula: C31H44N4O6
MW: 568.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight568.7
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass568.32608514
Monoisotopic Mass568.32608514
Topological Polar Surface Area137 Ų
Heavy Atom Count41
Formal Charge0
Complexity951
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19209485-01PF1070A

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