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DHODH-IN-17

CAT: 0931-T60364-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T60364-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16344-26-6
Target
Dehydrogenase
Related Pathways
Metabolism
Purity
>99.99%
Bioactivity
DHODH-IN-17 is a human DHODH inhibitor with an IC50 of 0.40 μM. DHODH-IN-17 is a 2- anilino nicotinic acid that can be used in the study of acute myeloid leukemia (AML) .
Smiles
OC(=O)C1=C(NC2=CC=C(Cl)C=C2)N=CC=C1
Molecular Formula
C12H9ClN2O2
Molecular Weight
248.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(4-Chloro-phenylamino)-nicotinic acid
CAS Number16344-26-6
PubChem CID1432578
IUPAC Name2-(4-chloroanilino)pyridine-3-carboxylic acid
Molecular FormulaC12H9ClN2O2
Molecular Weight248.66
XLogP3.4
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity267
SMILES
C1=CC(=C(N=C1)NC2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C12H9ClN2O2/c13-8-3-5-9(6-4-8)15-11-10(12(16)17)2-1-7-14-11/h1-7H,(H,14,15)(H,16,17)
InChIKey
YEXIXVLEDGNAKM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Chloro-phenylamino)-nicotinic acid
CAS: 16344-26-6
CID: 1432578
Formula: C12H9ClN2O2
MW: 248.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.66
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass248.0352552
Monoisotopic Mass248.0352552
Topological Polar Surface Area62.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity267
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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