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Chemical structure of BDW-OH

GC91659

BDW-OH

Also known as 2-[(11,12-dimethyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]acetic acid

BDW-OH is an active metabolite of the STING agonist and prodrug BDW568

ChemicalCAS573976-22-4MW294.4FormulaC11H10N4O2S2
CAS number
573976-22-4
Molecular weight
294.4
Formula
C11H10N4O2S2
Solubility
DMSO： Sparingly Soluble： 1–10 mg/ml
InChIKey
LKRSMSJNYWHAHQ-UHFFFAOYSA-N
Catalogue number
GC91659
Brand
GLPBIO
Computed properties PubChem CID 1468371 · XLogP 3.1 · TPSA 134 Ų · H-bond donors 1
XLogP
3.1
TPSA
134 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
19

SMILES CC1=C(SC2=C1C3=NN=C(N3C=N2)SCC(=O)O)C

Computed descriptors from PubChem (CID 1468371), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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