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Antiproliferative agent-36

CAT: 0804-HY-156777-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-156777-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Antiproliferative agent-36 (compound 8i) is a benzothiazolyl hydrazones derived compound with antiproliferative activity. Antiproliferative agent-36 has a broad-spectrum anticancer activity[1].
CAS Number
193828-76-1
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
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-36.html
Purity
98.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
C/C(C1=NC=NC=C1)=N\NC2=NC3=CC=CC=C3S2
Molecular Formula
C13H11N5S
Molecular Weight
269.33
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]J Easmon, et al. (1997) . Thiazolyl and benzothiazolyl hydrazones derived from α- (N) -acetylpyridines and diazines: synthesis, antiproliferative activity and CoMFA studies. , 32 (5), 397-408.
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

Antiproliferative agent-36
CAS Number193828-76-1
PubChem CID5351439
IUPAC NameN-[(E)-1-pyrimidin-4-ylethylideneamino]-1,3-benzothiazol-2-amine
Molecular FormulaC13H11N5S
Molecular Weight269.33
XLogP3.2
Topological Polar Surface Area91.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity335
SMILES
C/C(=N\NC1=NC2=CC=CC=C2S1)/C3=NC=NC=C3
InChI
InChI=1S/C13H11N5S/c1-9(10-6-7-14-8-15-10)17-18-13-16-11-4-2-3-5-12(11)19-13/h2-8H,1H3,(H,16,18)/b17-9+
InChIKey
ZMEIUSLAHMLILY-RQZCQDPDSA-N
Chemical Structure
2D Structure
2D structure of Antiproliferative agent-36
CAS: 193828-76-1
CID: 5351439
Formula: C13H11N5S
MW: 269.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.33
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass269.07351655
Monoisotopic Mass269.07351655
Topological Polar Surface Area91.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity335
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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