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Chemical structure of BTB09089

GC68813

BTB09089

Also known as 3-[(2,4-dichlorophenyl)methylsulfanyl]-1,6-dimethylpyridazino[4,5-e][1,3,4]thiadiazin-5-one

BTB09089 is a specific activator of T cell death-associated gene 8 (TDAG8/GPR65)· BTB09089 increases the expression of TDAG8 and regulates the production of cytokines in T cells and macrophages

ChemicalCAS245728-44-3MW387.31FormulaC14H12Cl2N4OS2
CAS number
245728-44-3
Molecular weight
387.31
Formula
C14H12Cl2N4OS2
Solubility
DMSO ： 100 mg/mL (258·19 mM; ultrasonic and warming and heat to 80°C)
InChIKey
PIAWQVCBQLTEIY-UHFFFAOYSA-N
Catalogue number
GC68813
Brand
GLPBIO
Computed properties PubChem CID 2801217 · XLogP 4 · TPSA 98.9 Ų · H-bond donors 0
XLogP
4
TPSA
98.9 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
23

SMILES CN1C2=C(C(=O)N(N=C2)C)SC(=N1)SCC3=C(C=C(C=C3)Cl)Cl

Computed descriptors from PubChem (CID 2801217), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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