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Hepcidin antagonist-1

CAT: 0804-HY-147379-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-147379-01Size:5 mg
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Description
Hepcidin antagonist-1 (example 104) is a potent hepcidin (hepcidine) antagonist with an IC50[1].
CAS Number
338965-09-6
UNSPSC
12352005
Target
Ferroportin; Hepcidin
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/hepcidin-antagonist-1.html
Purity
98.07
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
ClC1=C(CC2=C(N)N=C(N=C2N)C3=NC=CC=C3)C=CC(Cl)=C1
Molecular Formula
C16H13Cl2N5
Molecular Weight
346.21
References & Citations
[1]Franz DÜRRENBERGER, et al. Novel pyrimidine and triazine hepcidine antagonists. WO2011026835
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

5-(2,4-Dichlorobenzyl)-2-(2-pyridinyl)-4,6-pyrimidinediamine
CAS Number338965-09-6
PubChem CID3379829
IUPAC Name5-[(2,4-dichlorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine
Molecular FormulaC16H13Cl2N5
Molecular Weight346.2
XLogP3.3
Topological Polar Surface Area90.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity373
SMILES
C1=CC=NC(=C1)C2=NC(=C(C(=N2)N)CC3=C(C=C(C=C3)Cl)Cl)N
InChI
InChI=1S/C16H13Cl2N5/c17-10-5-4-9(12(18)8-10)7-11-14(19)22-16(23-15(11)20)13-3-1-2-6-21-13/h1-6,8H,7H2,(H4,19,20,22,23)
InChIKey
LUGXKWLXOYRDIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2,4-Dichlorobenzyl)-2-(2-pyridinyl)-4,6-pyrimidinediamine
CAS: 338965-09-6
CID: 3379829
Formula: C16H13Cl2N5
MW: 346.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.2
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass345.0548008
Monoisotopic Mass345.0548008
Topological Polar Surface Area90.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity373
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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