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Ailanthone

CAT: 1410-M22794-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M22794-01Size:5 mg
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Description
Ailanthone is an effective inhibitor of both full-length androgen receptor (AR) (IC50: 69 nM) and constitutively active truncated AR splice variants (IC50: 309 nM) .
CAS Number
981-15-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
376.4
Molecular Formula
C20H24O7
Notes
Research use only, not for human use.
Receptor
Androgen Receptor

Chemical Information

Ailanthone

Ailanthone is a triterpenoid.

CAS Number981-15-7
PubChem CID72965
IUPAC Name(1S,4R,5R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
Molecular FormulaC20H24O7
Molecular Weight376.4
XLogP-1.1
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Heavy Atom Count27
Formal Charge0
Complexity817
SMILES
CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@]([C@@H](C(=C)[C@@H]4CC(=O)O3)O)(OC5)O)C)O
InChI
InChI=1S/C20H24O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,10-11,13,15-17,23-25H,2,5-7H2,1,3H3/t10-,11-,13+,15+,16+,17+,18+,19+,20-/m0/s1
InChIKey
WBBVXGHSWZIJST-RLQYZCPESA-N
Chemical Structure
2D Structure
2D structure of Ailanthone
CAS: 981-15-7
CID: 72965
Formula: C20H24O7
MW: 376.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.4
XLogP3-1.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Exact Mass376.15220310
Monoisotopic Mass376.15220310
Topological Polar Surface Area113 Ų
Heavy Atom Count27
Formal Charge0
Complexity817
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N1943-01Ailanthone

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