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Chemical structure of STING-IN-4

GC71186

STING-IN-4

Also known as (1R,2R,10S,11R,14R,15S,18S,23S)-10-(hydroxymethyl)-2,10,14,15,21,21-hexamethyl-5,8-diazahexacyclo[12.12.0.02,11.04,9.015,24.018,23]hexacosa-4,6,8,24-tetraene-18-carboxylic acid

STING-IN-4 (Compound 1) is a STING inhibitor that inhibits STING expression and hence reducing activation of STING and nuclear factor-κB (NF-κB) signaling

ChemicalCAS2250374-27-5MW506.72FormulaC32H46N2O3
CAS number
2250374-27-5
Molecular weight
506.72
Formula
C32H46N2O3
Solubility
DMSO ： 93·33 mg/mL (184·18 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
MKLBYRFEFHWRDA-RZUSFDEGSA-N
Catalogue number
GC71186
Brand
GLPBIO
Computed properties PubChem CID 155529575 · XLogP 6 · TPSA 83.3 Ų · H-bond donors 2
XLogP
6
TPSA
83.3 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
37

SMILES C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(CC6=NC=CN=C6[C@@]3(C)CO)C

Computed descriptors from PubChem (CID 155529575), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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