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DHODH-IN-17

CAT: 0804-HY-128068-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-128068-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DHODH-IN-17, a 2-anilino nicotinic acid, is a human DHODH inhibitor (IC50=0.40 μM) . DHODH-IN-17 can be used for theresearch of acute myeloid leukemia (AML) [1].
CAS Number
16344-26-6
UNSPSC
12352005
Target
Dihydroorotate Dehydrogenase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/dhodh-in-17.html
Purity
99.91
Solubility
DMSO : 83.33 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=CN=C1NC2=CC=C(Cl)C=C2)O
Molecular Formula
C12H9ClN2O2
Molecular Weight
248.67
References & Citations
[1]Lewis TA, et al. Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia. ACS Med Chem Lett. 2016;7 (12) :1112-1117.
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

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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