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AVE-8063

CAT: 0804-HY-117867-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-117867-01Size:25 mg
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Description
AVE-8063 (AC-7739 free base) is an aminocombretastatin. AVE-8063 shows potent antitubulin activity and cytotoxicity. AVE-8063 can be used in the research of leukemia and breast cancer[1][2].
CAS Number
162705-07-9
Product Name Alternative
AC-7739 (free base)
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Microtubule/Tubulin
Related Pathways
Cell Cycle/DNA Damage; Cytoskeleton
Applications
Cancer-programmed cell death
Field of Research
Cancer
Purity
99.70
Smiles
O(C)C1=C(OC)C=C(/C=C\C2=CC(N)=C(OC)C=C2)C=C1OC
Molecular Formula
C18H21NO4
Molecular Weight
315.37
Precautions
H302, H315, H319, H335
References & Citations
[1]Kamal A, et al. Synthesis and biological evaluation of 1,2,3-triazole linked aminocombretastatin conjugates as mitochondrial mediated apoptosis inducers. Bioorg Med Chem. 2014 Oct 1;22 (19) :5155-67. |[2]Lee J, et al. Discovery of a potent tubulin polymerization inhibitor: synthesis and evaluation of water-soluble prodrugs of benzophenone analog. Bioorg Med Chem Lett. 2010 Nov 1;20 (21) :6327-30.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

AC-7739 free base

has both antivascular and antineoplastic activities; structure in first source

CAS Number162705-07-9
PubChem CID9796936
IUPAC Name2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
Molecular FormulaC18H21NO4
Molecular Weight315.4
XLogP3.4
Topological Polar Surface Area62.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity362
SMILES
COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)N
InChI
InChI=1S/C18H21NO4/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11H,19H2,1-4H3/b6-5-
InChIKey
QSAMWSFELUCKOA-WAYWQWQTSA-N
Chemical Structure
2D Structure
2D structure of AC-7739 free base
CAS: 162705-07-9
CID: 9796936
Formula: C18H21NO4
MW: 315.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass315.14705815
Monoisotopic Mass315.14705815
Topological Polar Surface Area62.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity362
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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