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Telomerase-IN-2

CAT: 0804-HY-126482-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-126482-01Size:5 mg
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Description
Telomerase-IN-2 is a telomerase inhibitor, and inhibits telomerase activity by decreasing expression of dyskerin, with an IC50 of 0.89 µM. Anti-cancer activity[1].
CAS Number
1610878-54-0
UNSPSC
12352005
Target
Telomerase
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/telomerase-in-2.html
Concentration
10mM
Purity
99.79
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
O=C1C(OCCCCN2CCN(C(C3=CC=NC=C3)=O)CC2)=C(C4=CC(OC)=C(OC)C(OC)=C4)OC5=CC(OC)=CC(OC)=C15
Molecular Formula
C34H39N3O9
Molecular Weight
633.69
References & Citations
[1]Quan Wang J, et al. Discovery of new chromen-4-one derivatives as telomerase inhibitors through regulating expression of dyskerin. J Enzyme Inhib Med Chem. 2018 Dec;33 (1) :1199-1211.
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

Telomerase-IN-2
CAS Number1610878-54-0
PubChem CID76285870
IUPAC Name5,7-dimethoxy-3-[4-[4-(pyridine-4-carbonyl)piperazin-1-yl]butoxy]-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Molecular FormulaC34H39N3O9
Molecular Weight633.7
XLogP3.8
Topological Polar Surface Area118
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Heavy Atom Count46
Formal Charge0
Complexity1020
SMILES
COC1=CC2=C(C(=C1)OC)C(=O)C(=C(O2)C3=CC(=C(C(=C3)OC)OC)OC)OCCCCN4CCN(CC4)C(=O)C5=CC=NC=C5
InChI
InChI=1S/C34H39N3O9/c1-40-24-20-25(41-2)29-26(21-24)46-31(23-18-27(42-3)32(44-5)28(19-23)43-4)33(30(29)38)45-17-7-6-12-36-13-15-37(16-14-36)34(39)22-8-10-35-11-9-22/h8-11,18-21H,6-7,12-17H2,1-5H3
InChIKey
HDOUAPSDPPFIGT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Telomerase-IN-2
CAS: 1610878-54-0
CID: 76285870
Formula: C34H39N3O9
MW: 633.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight633.7
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count13
Exact Mass633.26862983
Monoisotopic Mass633.26862983
Topological Polar Surface Area118 Ų
Heavy Atom Count46
Formal Charge0
Complexity1020
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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