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Chemical structure of ADAMTS-5-IN-2

GC70743

ADAMTS-5-IN-2

Also known as 5-ethyl-5'-phenylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one

ADAMTS-5-IN-2 (compound 25) is a potent ADAMTS-5 inhibitor with an IC50 value of 0·71 µM

ChemicalCAS294648-66-1MW309.39FormulaC17H15N3OS
CAS number
294648-66-1
Molecular weight
309.39
Formula
C17H15N3OS
Solubility
DMSO ： 100 mg/mL (323·22 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
ICJWVAKZQXYHBB-UHFFFAOYSA-N
Catalogue number
GC70743
Brand
GLPBIO
Computed properties PubChem CID 3136571 · XLogP 3.9 · TPSA 78.8 Ų · H-bond donors 2
XLogP
3.9
TPSA
78.8 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22

SMILES CCC1=CC2=C(C=C1)NC(=O)C23NN=C(S3)C4=CC=CC=C4

Computed descriptors from PubChem (CID 3136571), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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