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CLM296

CAT: 0931-T211059-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T211059-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3067837-25-3
Target
Dehydrogenase
Related Pathways
Metabolism
Bioactivity
CLM296 is a potent and selective inhibitor of ALDH1A3, with an IC50 of 2 nM. It does not exhibit off-target effects on the highly homologous ALDH1A1 isoform. CLM296 is capable of inhibiting ALDH1A3-driven breast cancer metastasis and can be utilized in the study of triple-negative breast cancer (TNBC) .
Smiles
O=C(C=1C=CC(=CC1)C=2C=C(C=3C=CC(=CC3)C(=O)C)C4=NC(=CN4C2)C=5C=CC=CC5)C
Molecular Formula
C29H22N2O2
Molecular Weight
430.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-[4-[6-(4-Acetylphenyl)-2-phenylimidazo[1,2-a]pyridin-8-yl]phenyl]ethanone
CAS Number3067837-25-3
PubChem CID176203224
IUPAC Name1-[4-[6-(4-acetylphenyl)-2-phenylimidazo[1,2-a]pyridin-8-yl]phenyl]ethanone
Molecular FormulaC29H22N2O2
Molecular Weight430.5
XLogP6
Topological Polar Surface Area51.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity686
SMILES
CC(=O)C1=CC=C(C=C1)C2=CC(=CN3C2=NC(=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C(=O)C
InChI
InChI=1S/C29H22N2O2/c1-19(32)21-8-12-23(13-9-21)26-16-27(24-14-10-22(11-15-24)20(2)33)29-30-28(18-31(29)17-26)25-6-4-3-5-7-25/h3-18H,1-2H3
InChIKey
XFUSNQRCLCATCR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[4-[6-(4-Acetylphenyl)-2-phenylimidazo[1,2-a]pyridin-8-yl]phenyl]ethanone
CAS: 3067837-25-3
CID: 176203224
Formula: C29H22N2O2
MW: 430.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.5
XLogP36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass430.168127949
Monoisotopic Mass430.168127949
Topological Polar Surface Area51.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity686
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

Alternative Products

CatalogName
GTR19263613-01CLM296

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