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Chemical structure of Mcl1-IN-2

GC33035

Mcl1-IN-2

Also known as 7-[(pyridin-2-ylamino)-thiophen-2-ylmethyl]quinolin-8-ol

Mcl1-IN-2 is an inhibitor of myeloid cell factor 1 (Mcl-1)· Mcl1-IN-2 is a non-competitive Delhi metallo-β-lactamase (NDM-1) inhibitor· The IC50s of Mcl1-IN-2 against metallo-β-lactamases NDM-1, IMP-4, ImiS and L1 are 0·4637 μM, 3·980 μM, 0·2287 μM and 1·158 μM, respectively

ChemicalCAS292057-76-2MW333.41FormulaC19H15N3OS
CAS number
292057-76-2
Molecular weight
333.41
Formula
C19H15N3OS
Solubility
DMSO： 33·33 mg/mL (99·97 mM)
InChIKey
ICJKSTJCIAGPIS-UHFFFAOYSA-N
Catalogue number
GC33035
Brand
GLPBIO
Computed properties PubChem CID 3625042 · XLogP 4 · TPSA 86.3 Ų · H-bond donors 2
XLogP
4
TPSA
86.3 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24

SMILES C1=CC=NC(=C1)NC(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CS4

Computed descriptors from PubChem (CID 3625042), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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