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Chemical structure of Deaminase inhibitor-1

GC75359

Deaminase inhibitor-1

Also known as 3-[(3-bromo-4-methoxyphenyl)methyl]-4-methyl-1H-1,2,4-triazole-5-thione

Deaminase inhibitor-1 is a small molecule inhibitor of APOBEC3G DNA Deaminase, with an IC50 value of 18·9 μM

ChemicalCAS397878-17-0MW314.2FormulaC11H12BrN3OS
CAS number
397878-17-0
Molecular weight
314.2
Formula
C11H12BrN3OS
Solubility
DMSO： 125 mg/mL (397·84 mM; Need ultrasonic)
InChIKey
JFEBTANALIHFDD-UHFFFAOYSA-N
Catalogue number
GC75359
Brand
GLPBIO
Computed properties PubChem CID 838913 · XLogP 2.2 · TPSA 69 Ų · H-bond donors 1
XLogP
2.2
TPSA
69 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17

SMILES CN1C(=NNC1=S)CC2=CC(=C(C=C2)OC)Br

Computed descriptors from PubChem (CID 838913), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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