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Chemical structure of UNC0379 trifluoroacetate

GC34160

UNC0379 trifluoroacetate

Also listed as UNC0379 trifluoroacetate (UNC-0379 trifluoroacetate)

UNC0379 trifluoroacetate (UNC-0379 trifluoroacetate) is a selective, substrate-competitive inhibitor of lysine methyltransferase SETD8 (KMT5A) with an IC50 of 7·3 μM, KD value of 18·3 μM

ChemicalCAS1620401-83-3MW527.58FormulaC25H36F3N5O4
CAS number
1620401-83-3
Molecular weight
527.58
Formula
C25H36F3N5O4
Solubility
H2O : 100 mg/mL (189·54 mM; Need ultrasonic)
InChIKey
NRGGPYZTHNAVFM-UHFFFAOYSA-N
Catalogue number
GC34160
Brand
GLPBIO
Computed properties PubChem CID 92044361 · TPSA 100 Ų · H-bond donors 2 · H-bond acceptors 12
TPSA
100 Ų
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
10
Heavy atoms
37

SMILES COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCC3)NCCCCCN4CCCC4)OC.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 92044361), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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