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Antiproliferative agent-16

CAT: 0804-HY-148453-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-148453-01Size:5 mg
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Description
Antiproliferative agent-16 is an indolyl hydrazide-hydrazone compound with anticancer activity. Antiproliferative agent-16 exhibits specificity toward breast cancer cells (IC50 of 6.94 μM for MCF-7 cells) [1].
CAS Number
15641-17-5
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-16.html
Purity
99.25
Solubility
10 mM in DMSO
Smiles
O=C(N/N=C/C1=CNC2=C1C=CC=C2)CC3=CC=CC=C3
Molecular Formula
C17H15N3O
Molecular Weight
277.32
Precautions
P264-P270-P280-P302+P352-P305+P351+P338-P330-P362+P364-P501
References & Citations
[1]Swapna Sundaree, et al. Synthesis and anticancer activity study of indolyl hydrazide-hydrazones. Med Chem Res 25, 941-950 (2016) .
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

N'-((1h-indol-3-yl)methylene)-2-phenylacetohydrazide
CAS Number15641-17-5
PubChem CID135411716
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-2-phenylacetamide
Molecular FormulaC17H15N3O
Molecular Weight277.32
XLogP3.1
Topological Polar Surface Area57.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity376
SMILES
C1=CC=C(C=C1)CC(=O)N/N=C/C2=CNC3=CC=CC=C32
InChI
InChI=1S/C17H15N3O/c21-17(10-13-6-2-1-3-7-13)20-19-12-14-11-18-16-9-5-4-8-15(14)16/h1-9,11-12,18H,10H2,(H,20,21)/b19-12+
InChIKey
VDNPCDIEIGAGRI-XDHOZWIPSA-N
Chemical Structure
2D Structure
2D structure of N'-((1h-indol-3-yl)methylene)-2-phenylacetohydrazide
CAS: 15641-17-5
CID: 135411716
Formula: C17H15N3O
MW: 277.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.32
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass277.121512110
Monoisotopic Mass277.121512110
Topological Polar Surface Area57.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity376
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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