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Antibiotic PF 1052

CAT: 0931-T38097-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T38097-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
147317-15-5
Target
Antifungal, Others, Antibiotic, Antibacterial
Related Pathways
Others, Microbiology/Virology
Bioactivity
Antibiotic PF 1052 is a fungal metabolite originally isolated from Phoma.1,2 It is active against S. aureus, S. parvulus, and C. perfringens (MICs = 3.13, 0.78, and 0.39 μg/ml, respectively), among others.1 It inhibits neutrophil migration in a wound assay using zebrafish larvae expressing GFP-labeled neutrophils, reducing pseudopodia formation and inducing rounding of neutrophils.2 Antibiotic PF 1052 is selective for neutrophil migration over macrophage migration in zebrafish larvae. It also inhibits the migration of murine neutrophils when used at concentrations of 10 and 20 μM.
Smiles
CCC(C)C1N(C)C(=O)C(=C(O)C2C(C=CC3CC(C)CC(C)C23)C2(C)OC2C)C1=O |w:10.10,c:14|
Molecular Formula
C26H39NO4
Molecular Weight
429.601
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Antibiotic PF 1052

CID 76171059 has been reported in Phoma with data available.

CAS Number147317-15-5
PubChem CID76171059
IUPAC Name5-butan-2-yl-3-[[2-(2,3-dimethyloxiran-2-yl)-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-hydroxymethylidene]-1-methylpyrrolidine-2,4-dione
Molecular FormulaC26H39NO4
Molecular Weight429.6
XLogP5.5
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity831
SMILES
CCC(C)C1C(=O)C(=C(C2C(C=CC3C2C(CC(C3)C)C)C4(C(O4)C)C)O)C(=O)N1C
InChI
InChI=1S/C26H39NO4/c1-8-14(3)22-24(29)21(25(30)27(22)7)23(28)20-18(26(6)16(5)31-26)10-9-17-12-13(2)11-15(4)19(17)20/h9-10,13-20,22,28H,8,11-12H2,1-7H3
InChIKey
NPWKEUKXVOMELT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antibiotic PF 1052
CAS: 147317-15-5
CID: 76171059
Formula: C26H39NO4
MW: 429.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.6
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass429.28790873
Monoisotopic Mass429.28790873
Topological Polar Surface Area70.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity831
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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