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Chemical structure of Cisd2 agonist 2

GC71340

Cisd2 agonist 2

Also known as methyl 2-amino-5-[(4-hydroxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

Cisd2 agonist 2 (compound 6) is an orally active Cisd2 activator (EC50=191 nM), while the Cisd2 levels is correlated with nonalcoholic fatty liver disease (NAFLD)

ChemicalCAS2916371-59-8MW306.34FormulaC14H14N2O4S
CAS number
2916371-59-8
Molecular weight
306.34
Formula
C14H14N2O4S
Solubility
DMSO ： 100 mg/mL (326·43 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
RUKNSHPYDAPFMK-UHFFFAOYSA-N
Catalogue number
GC71340
Brand
GLPBIO
Computed properties PubChem CID 167489025 · XLogP 2.8 · TPSA 130 Ų · H-bond donors 3
XLogP
2.8
TPSA
130 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
21

SMILES CC1=C(SC(=C1C(=O)OC)N)C(=O)NC2=CC=C(C=C2)O

Computed descriptors from PubChem (CID 167489025), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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