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Eprotirome (KB2115)

CAT: 1568-C15954Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C15954Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
355129-15-6
SKU
C15954-25mg
Target
THR
Applications
Endocrinology & Hormones
Smiles
CC (C) C1=C (C=CC (=C1) OC2=C (C=C (C=C2Br) NC (=O) CC (=O) O) Br) O
Molecular Formula
C18H17Br2NO5
Additionnal Information
Eprotirome (KB2115) is a liver-selective agonist of thyroid hormone receptor (TR) . Eprotirome is investigated for the potential treatment of dyslipidemias and obesity.
Storage Conditions
3 years -20°C powder

Chemical Information

Eprotirome

Eprotirome which is a compound with promising properties for treatment of obesity and dyslipidemia. Eprotirome increases the body’s energy consumption and reduces body weight and markedly reduces blood lipids and blood glucose.

CAS Number355129-15-6
PubChem CID10299876
IUPAC Name3-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]-3-oxopropanoic acid
Molecular FormulaC18H17Br2NO5
Molecular Weight487.1
XLogP5
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity492
SMILES
CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)NC(=O)CC(=O)O)Br)O
InChI
InChI=1S/C18H17Br2NO5/c1-9(2)12-7-11(3-4-15(12)22)26-18-13(19)5-10(6-14(18)20)21-16(23)8-17(24)25/h3-7,9,22H,8H2,1-2H3,(H,21,23)(H,24,25)
InChIKey
VPCSYAVXDAUHLT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Eprotirome
CAS: 355129-15-6
CID: 10299876
Formula: C18H17Br2NO5
MW: 487.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight487.1
XLogP35
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass486.94530
Monoisotopic Mass484.94735
Topological Polar Surface Area95.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity492
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