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CMS-121

CAT: 0931-T14991-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T14991-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1353224-53-9
Target
Acetyl-CoA Carboxylase
Related Pathways
Metabolism
Purity
0.9948
Bioactivity
CMS-121, a quinolone derivative, is an orally active acetyl-CoA carboxylase 1 (ACC1) inhibitor. CMS-121 protects HT22 cells against ischemia and oxidative damage (EC50: 7 nM and 200 nM) . CMS-121 shows strong neuroprotective, antioxidative, anti-inflammatory, and renoprotective activities.
Smiles
Oc1ccc(cc1O)-c1cc(OC2CCCC2)c2ccccc2n1
Molecular Formula
C20H19NO3
Molecular Weight
321.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cms-121

CMS-121 is a quinolone derivative and an orally active acetyl-CoA carboxylase 1 (ACC1) inhibitor. CMS-121 protects HT22 cells against ischemia and oxidative damage. CMS-121 has strong neuroprotective, anti-inflammatory, antioxidative and renoprotective activities.

CAS Number1353224-53-9
PubChem CID135741221
IUPAC Name4-(4-cyclopentyloxyquinolin-2-yl)benzene-1,2-diol
Molecular FormulaC20H19NO3
Molecular Weight321.4
XLogP4.4
Topological Polar Surface Area62.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity412
SMILES
C1CCC(C1)OC2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)O)O
InChI
InChI=1S/C20H19NO3/c22-18-10-9-13(11-19(18)23)17-12-20(24-14-5-1-2-6-14)15-7-3-4-8-16(15)21-17/h3-4,7-12,14,22-23H,1-2,5-6H2
InChIKey
OMHNVUCFPJJLKD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cms-121
CAS: 1353224-53-9
CID: 135741221
Formula: C20H19NO3
MW: 321.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.4
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass321.13649347
Monoisotopic Mass321.13649347
Topological Polar Surface Area62.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity412
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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