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Chemical structure of MYCi361

GC38589

MYCi361

Also known as 2-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-chlorophenyl)methoxy]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol

MYCi361 (NUCC-0196361) is a MYC inhibitor with the Kd of 3·2 μM for binding to MYC· MYCi361 (NUCC-0196361) suppresses tumor growth and enhances anti-PD1 immunotherapy

ChemicalCAS2289690-31-7MW594.86FormulaC26H16ClF9N2O2
CAS number
2289690-31-7
Molecular weight
594.86
Formula
C26H16ClF9N2O2
Solubility
DMSO： 110 mg/mL (184·92 mM)
InChIKey
CKLCWLSEYDDTCN-UHFFFAOYSA-N
Catalogue number
GC38589
Brand
GLPBIO
Computed properties PubChem CID 139600319 · XLogP 7.9 · TPSA 47.3 Ų · H-bond donors 1
XLogP
7.9
TPSA
47.3 Ų
H-bond donors
1
H-bond acceptors
12
Rotatable bonds
5
Heavy atoms
40

SMILES CN1C(=CC(=N1)C(F)(F)F)C2=C(C(=C(C=C2)OCC3=CC=C(C=C3)Cl)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)O

Computed descriptors from PubChem (CID 139600319), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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