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Telomerase-IN-5

CAT: 0804-HY-152077Size: 1 EachDry Ice: NoHazardous: No
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Description
Telomerase-IN-5 is a potent telomerase inhibitor. Telomerase-IN-5 has antiproliferative activity and induces apoptosis[1].
CAS Number
2892295-16-6
UNSPSC
12352005
Target
Apoptosis
Type
Reference compound
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/telomerase-in-5.html
Solubility
10 mM in DMSO
Smiles
O=C(NC1=C(C#N)C2=C(CCCC2)S1)CSC3=NN=C(C4=CC=C(C)C=C4)C=C3
Molecular Formula
C22H20N4OS2
Molecular Weight
420.55
References & Citations
[1]Al-Karmalawy AA, et, al. Ligand-Based Design on the Dog-Bone-Shaped BIBR1532 Pharmacophoric Features and Synthesis of Novel Analogues as Promising Telomerase Inhibitors with In Vitro and In Vivo Evaluations. J Med Chem. 2022 Dec 16.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Telomerase-IN-5
CAS Number2892295-16-6
PubChem CID166642367
IUPAC NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
Molecular FormulaC22H20N4OS2
Molecular Weight420.6
XLogP5.1
Topological Polar Surface Area132
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity615
SMILES
CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N
InChI
InChI=1S/C22H20N4OS2/c1-14-6-8-15(9-7-14)18-10-11-21(26-25-18)28-13-20(27)24-22-17(12-23)16-4-2-3-5-19(16)29-22/h6-11H,2-5,13H2,1H3,(H,24,27)
InChIKey
MTJPHJVBSCKILK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Telomerase-IN-5
CAS: 2892295-16-6
CID: 166642367
Formula: C22H20N4OS2
MW: 420.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.6
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass420.10785362
Monoisotopic Mass420.10785362
Topological Polar Surface Area132 Ų
Heavy Atom Count29
Formal Charge0
Complexity615
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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