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Chemical structure of hTYR/AbTYR-IN-1

GC73241

hTYR/AbTYR-IN-1

Also known as [4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone

hTYR/AbTYR-IN-1 (Compound 7) is a hTYR/AbTYR dual inhibitor, with IC50s of 5·4 μM and 3·52 μM for hTYR and AbTYR respectively

ChemicalCAS1625821-37-5MW312.36FormulaC18H20N2O3
CAS number
1625821-37-5
Molecular weight
312.36
Formula
C18H20N2O3
Solubility
DMSO : 125 mg/mL (400·18 mM; Need ultrasonic)
InChIKey
MUYCIIDDRAFFHB-UHFFFAOYSA-N
Catalogue number
GC73241
Brand
GLPBIO
Computed properties PubChem CID 78777376 · XLogP 1.7 · TPSA 53 Ų · H-bond donors 1
XLogP
1.7
TPSA
53 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23

SMILES COC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)O

Computed descriptors from PubChem (CID 78777376), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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