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Chemical structure of XQ2B

GC76607

XQ2B

Also known as 2-[3-[(3R,6S,9S,12S,15S,18R,21S,24S,27S,30S)-3,18-dibenzyl-9-[3-(diaminomethylideneamino)propyl]-12-[(1R)-1-hydroxyethyl]-15-methyl-6,21-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-27-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-24-yl]propyl]guanidine

XQ2B is a cGAS inhibitor targeting protein-DNA interactions and phase separation

ChemicalCAS2104728-28-9MW1201.46FormulaC59H92N16O11
CAS number
2104728-28-9
Molecular weight
1201.46
Formula
C59H92N16O11
InChIKey
ZKSBDEIRCKGNQT-XXTAEOGISA-N
Catalogue number
GC76607
Brand
GLPBIO
Computed properties PubChem CID 169450165 · XLogP 2.1 · TPSA 431 Ų · H-bond donors 14
XLogP
2.1
TPSA
431 Ų
H-bond donors
14
H-bond acceptors
13
Rotatable bonds
18
Heavy atoms
86

SMILES C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC3=CC=CC=C3)CC(C)C)CCCN=C(N)N)C(C)C)CC4=CC=CC=C4)CC(C)C)CCCN=C(N)N)[C@@H](C)O

Computed descriptors from PubChem (CID 169450165), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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