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Chemical structure of cGAS-IN-1

GC75407

cGAS-IN-1

Also known as 2-[carboxymethyl-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]amino]acetic acid

cGAS-IN-1 (compound C20) is a flavonoid and Cyclic GMP-AMP Synthase (cGAS) inhibitor with IC50s of 2·28 μM (human cGAS) and 1·44 μM (mouse cGAS)

ChemicalCAS858770-07-7MW377.35FormulaC18H19NO8
CAS number
858770-07-7
Molecular weight
377.35
Formula
C18H19NO8
Solubility
DMSO： 100 mg/mL (265·01 mM; Need ultrasonic)
InChIKey
RMQTZPUNTDZXLX-UHFFFAOYSA-N
Catalogue number
GC75407
Brand
GLPBIO
Computed properties PubChem CID 1759677 · XLogP 0.7 · TPSA 130 Ų · H-bond donors 2
XLogP
0.7
TPSA
130 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
27

SMILES CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N(CC(=O)O)CC(=O)O

Computed descriptors from PubChem (CID 1759677), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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