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CHS-828

CAT: 0931-T1998-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T1998-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
200484-11-3
Target
Apoptosis, NAMPT
Related Pathways
Metabolism, Apoptosis
Purity
>99.99%
Bioactivity
CHS-828 (GMX1778), a pyridyl cyanoguanidine, is an effective inhibitor of NAD+ biosynthesis enzyme NAMPT (IC50 <25 nM) .
Smiles
Clc1ccc(OCCCCCCNC(NC#N)=Nc2ccncc2)cc1
Molecular Formula
C19H22ClN5O
Molecular Weight
371.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Chs-828

2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine is an aromatic ether.

CAS Number200484-11-3
PubChem CID148198
IUPAC Name2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine
Molecular FormulaC19H22ClN5O
Molecular Weight371.9
XLogP4.3
Topological Polar Surface Area82.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count26
Formal Charge0
Complexity450
SMILES
C1=CC(=CC=C1OCCCCCCN=C(NC#N)NC2=CC=NC=C2)Cl
InChI
InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)
InChIKey
BOIPLTNGIAPDBY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chs-828
CAS: 200484-11-3
CID: 148198
Formula: C19H22ClN5O
MW: 371.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.9
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass371.1512880
Monoisotopic Mass371.1512880
Topological Polar Surface Area82.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity450
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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