Ailanthone

CAT: 0804-HY-N1943-04Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-N1943-04Size:10 mg

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Description

Ailanthone (Δ13-Dehydrochaparrinone) is a potent inhibitor of both full-length androgen receptor (AR) (IC50=69 nM) and constitutively active truncated AR splice variants (AR1-651 IC50=309 nM) .

CAS Number

981-15-7

Product Name Alternative

Δ13-Dehydrochaparrinone

UNSPSC

12352005

Hazard Statement

H300

Target

Androgen Receptor

Type

Natural Products

Related Pathways

Vitamin D Related/Nuclear Receptor

Applications

Cancer-programmed cell death

Field of Research

Cancer; Inflammation/Immunology

Assay Protocol

https://www.medchemexpress.com/Ailanthone.html

Concentration

10mM

Purity

99.93

Solubility

DMSO : 50 mg/mL (ultrasonic)

Smiles

C[C@@]1([C@@H]2O)[C@]([C@@]3([C@@H]4O)O)([H])[C@@]([C@](C5)([H])C4=C)(CO3)[C@@](OC5=O)([H])C[C@@]1([H])C(C)=CC2=O

Molecular Formula

C20H24O7

Molecular Weight

376.40

Precautions

H300

References & Citations

[1]He Y, et al. Ailanthone targets p23 to overcome MDV3100 resistance in castration-resistant prostate cancer. Nat Commun. 2016 Dec 13;7:13122.|[2]Zhuo Z, et al. Ailanthone Inhibits Huh7 Cancer Cell Growth via Cell Cycle Arrest and Apoptosis In Vitro and In Vivo. Sci Rep. 2015 Nov 3;5:16185.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

Ailanthone

Ailanthone is a triterpenoid.

CAS Number	981-15-7
PubChem CID	72965
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 Formula	C20H24O7
Molecular Weight	376.4
XLogP	-1.1
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Heavy Atom Count	27
Formal Charge	0
Complexity	817

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

CAS: 981-15-7

CID: 72965

Formula: C20H24O7

MW: 376.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	376.4
XLogP3	-1.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	376.15220310
Monoisotopic Mass	376.15220310
Topological Polar Surface Area	113 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	817
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TBZ0015	Ailanthone

Ailanthone

Chemical Information

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