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ABX-002

CAT: 0931-T85542-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T85542-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2156649-32-8
Target
Thyroid hormone receptor (THR)
Related Pathways
Endocrinology/Hormones
Bioactivity
ABX-002 (MA-JD21) is a TR-β selective, CNS-penetrant TR-β agonist prodrug, utilized for research on major depressive disorder (MDD) [1].
Smiles
O=C(NC)COC1=CC(Cl)=C(C(Cl)=C1)CC2=CC=C(O)C(=C2)C(C)C
Molecular Formula
C19H21Cl2NO3
Molecular Weight
382.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Abx-002
CAS Number2156649-32-8
PubChem CID132160637
IUPAC Name2-[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]-N-methylacetamide
Molecular FormulaC19H21Cl2NO3
Molecular Weight382.3
XLogP5.2
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity423
SMILES
CC(C)C1=C(C=CC(=C1)CC2=C(C=C(C=C2Cl)OCC(=O)NC)Cl)O
InChI
InChI=1S/C19H21Cl2NO3/c1-11(2)14-6-12(4-5-18(14)23)7-15-16(20)8-13(9-17(15)21)25-10-19(24)22-3/h4-6,8-9,11,23H,7,10H2,1-3H3,(H,22,24)
InChIKey
CQELSEDWYWTMDG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Abx-002
CAS: 2156649-32-8
CID: 132160637
Formula: C19H21Cl2NO3
MW: 382.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.3
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass381.0898489
Monoisotopic Mass381.0898489
Topological Polar Surface Area58.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity423
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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