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Ferroportin-IN-1

CAT: 0013-GTR19185616-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185616-01Size:1 mg
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Description
Ferroportin-IN-1 is a small molecule inhibitor of the iron exporter ferroportin, used to modulate cellular iron efflux. It is a valuable research tool for studying iron metabolism disorders in vitro and in vivo, including models of hemochromatosis, thalassemia, and sickle cell disease.
CAS Number
2443432-65-1
Field of Research
Pharmacology & Drug Discovery
Purity
99.85% (May vary between batches)
Solubility
DMSO:80 mg/mL (172.22 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (7.1 mM)
Smiles
O=C1N=C (NCC2=NC=CC=C2F) C=3N=C (SC3N1) CCNCCC4=NC=5C=CC=CC5N4
Molecular Formula
C22H21FN8OS
Molecular Weight
464.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ferroportin-IN-1
CAS Number2443432-65-1
PubChem CID146662427
IUPAC Name2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]ethyl]-7-[(3-fluoro-2-pyridinyl)methylamino]-6H-[1,3]thiazolo[5,4-d]pyrimidin-5-one
Molecular FormulaC22H21FN8OS
Molecular Weight464.5
XLogP1.7
Topological Polar Surface Area145
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity833
SMILES
C1=CC=C2C(=C1)NC(=N2)CCNCCC3=NC4=C(NC(=O)N=C4S3)NCC5=C(C=CC=N5)F
InChI
InChI=1S/C22H21FN8OS/c23-13-4-3-9-25-16(13)12-26-20-19-21(31-22(32)30-20)33-18(29-19)8-11-24-10-7-17-27-14-5-1-2-6-15(14)28-17/h1-6,9,24H,7-8,10-12H2,(H,27,28)(H2,26,30,31,32)
InChIKey
AMCFSVKOAOALFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ferroportin-IN-1
CAS: 2443432-65-1
CID: 146662427
Formula: C22H21FN8OS
MW: 464.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.5
XLogP31.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass464.15430666
Monoisotopic Mass464.15430666
Topological Polar Surface Area145 Ų
Heavy Atom Count33
Formal Charge0
Complexity833
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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