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Chemical structure of TREX1-IN-1

GC73898

TREX1-IN-1

Also known as 2-(2-fluoro-3,4-dihydroxy-5-methoxyphenyl)-3-(3-methyloxetan-3-yl)benzimidazole-5-carboxamide

TREX1-IN-1 (Compound 180) is a TREX1 inhibitor with an IC50 value for hTREX1 less than 0·1 μM

ChemicalCAS2756594-27-9MW387.36FormulaC19H18FN3O5
CAS number
2756594-27-9
Molecular weight
387.36
Formula
C19H18FN3O5
Solubility
DMSO ： 100 mg/mL (258·16 mM; Need ultrasonic)
InChIKey
NBMNNDPERDGFBS-UHFFFAOYSA-N
Catalogue number
GC73898
Brand
GLPBIO
Computed properties PubChem CID 162530912 · XLogP 1.1 · TPSA 120 Ų · H-bond donors 3
XLogP
1.1
TPSA
120 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
28

SMILES CC1(COC1)N2C3=C(C=CC(=C3)C(=O)N)N=C2C4=CC(=C(C(=C4F)O)O)OC

Computed descriptors from PubChem (CID 162530912), 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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