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Antiproliferative agent-13

CAT: 0804-HY-128224-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-128224-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Antiproliferative agent-13 (compound 16c) shows an antiproliferative activity against human A375 cells with an IC50 value of 32.7 nM. Antiproliferative agent-13 can be used for the research of cancer[1].
CAS Number
663214-48-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/antiproliferative-agent-13.html
Purity
99.09
Solubility
DMSO : 50 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
N#CC1=C(N)OC2=CC(OCO3)=C3C=C2C1C4=CC(OC)=C(OC)C(OC)=C4
Molecular Formula
C20H18N2O6
Molecular Weight
382.37
Precautions
H302, H315, H319
References & Citations
[1]Zhang H, et al. Design, synthesis and characterization of potent microtubule inhibitors with dual anti-proliferative and anti-angiogenic activities. Eur J Med Chem. 2018 Sep 5;157:380-396
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

6-amino-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CAS Number663214-48-0
PubChem CID3153314
IUPAC Name6-amino-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
Molecular FormulaC20H18N2O6
Molecular Weight382.4
XLogP3
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity646
SMILES
COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3OC(=C2C#N)N)OCO4
InChI
InChI=1S/C20H18N2O6/c1-23-16-4-10(5-17(24-2)19(16)25-3)18-11-6-14-15(27-9-26-14)7-13(11)28-20(22)12(18)8-21/h4-7,18H,9,22H2,1-3H3
InChIKey
LLTPNRJVRNURSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-amino-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CAS: 663214-48-0
CID: 3153314
Formula: C20H18N2O6
MW: 382.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass382.11648630
Monoisotopic Mass382.11648630
Topological Polar Surface Area105 Ų
Heavy Atom Count28
Formal Charge0
Complexity646
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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