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A 60586

CAT: 0931-T26424-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T26424-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
146667-75-6
Target
Others
Related Pathways
Others
Bioactivity
A 60586, a non-azole inhibitor of ergosterol biosynthesis, inhibits lanosterol 14alpha-demethylase and displays in-vitro antifungal activity.
Smiles
C(N(CCC1=CC=C(C=C1)C2=CC=CC=C2)C)C3C=4C(CCC3)=CC(O)=CC4
Molecular Formula
C26H29NO
Molecular Weight
371.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

A 60586

structure given in first source; inhibits lanosterol 14alpha-demethylase

CAS Number146667-75-6
PubChem CID132773
IUPAC Name5-[[methyl-[2-(4-phenylphenyl)ethyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
Molecular FormulaC26H29NO
Molecular Weight371.5
XLogP6.2
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity451
SMILES
CN(CCC1=CC=C(C=C1)C2=CC=CC=C2)CC3CCCC4=C3C=CC(=C4)O
InChI
InChI=1S/C26H29NO/c1-27(19-24-9-5-8-23-18-25(28)14-15-26(23)24)17-16-20-10-12-22(13-11-20)21-6-3-2-4-7-21/h2-4,6-7,10-15,18,24,28H,5,8-9,16-17,19H2,1H3
InChIKey
UTBRFUHMQQIVFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A 60586
CAS: 146667-75-6
CID: 132773
Formula: C26H29NO
MW: 371.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.5
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass371.224914549
Monoisotopic Mass371.224914549
Topological Polar Surface Area23.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity451
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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