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Nampt-IN-3

CAT: 0804-HY-108701-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-108701-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Nampt-IN-3 (Compound 35) simultaneously inhibit nicotinamide phosphoribosyltransferase (NAMPT) and HDAC with IC50s of 31 nM and 55 nM, respectively. Nampt-IN-3 effectively induces cell apoptosis and autophagy and ultimately leads to cell death[1].
CAS Number
2121591-52-2
UNSPSC
12352005
Target
Apoptosis; Autophagy; HDAC; NAMPT
Type
Reference compound
Related Pathways
Apoptosis; Autophagy; Cell Cycle/DNA Damage; Epigenetics; Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/nampt-in-3.html
Concentration
10mM
Purity
98.97
Solubility
DMSO : 130 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=C(C2=CN(CC3=CC=C(C(NC4=CC=CC=C4N)=O)C=C3)N=N2)C=C1)NCC5=CC=CN=C5
Molecular Formula
C29H25N7O2
Molecular Weight
503.55
References & Citations
[1]Dong G, et al. Small Molecule Inhibitors Simultaneously Targeting Cancer Metabolism and Epigenetics: Discovery of Novel Nicotinamide Phosphoribosyltransferase (NAMPT) and Histone Deacetylase (HDAC) Dual Inhibitors. J Med Chem. 2017 Oct 12;60 (19) :7965-7983.
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

Nampt-IN-3
CAS Number2121591-52-2
PubChem CID137634086
IUPAC NameN-(2-aminophenyl)-4-[[4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]triazol-1-yl]methyl]benzamide
Molecular FormulaC29H25N7O2
Molecular Weight503.6
XLogP2.8
Topological Polar Surface Area128
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity766
SMILES
C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CN3C=C(N=N3)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5
InChI
InChI=1S/C29H25N7O2/c30-25-5-1-2-6-26(25)33-29(38)24-9-7-20(8-10-24)18-36-19-27(34-35-36)22-11-13-23(14-12-22)28(37)32-17-21-4-3-15-31-16-21/h1-16,19H,17-18,30H2,(H,32,37)(H,33,38)
InChIKey
LSGNVZAEAAZOEH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nampt-IN-3
CAS: 2121591-52-2
CID: 137634086
Formula: C29H25N7O2
MW: 503.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight503.6
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass503.20697307
Monoisotopic Mass503.20697307
Topological Polar Surface Area128 Ų
Heavy Atom Count38
Formal Charge0
Complexity766
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