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Chemical structure of SEC inhibitor KL-1

GC38063

SEC inhibitor KL-1

Also known as N-(5-chloro-2-methylphenyl)-4-hydroxy-4-(3-methoxyphenyl)-2-oxobut-3-enamide

SEC inhibitor KL-1 (KL-1), a peptidomimetic lead compound, is a potent, selective super elongation complex (SEC) inhibitor and disrupts the interaction between the SEC scaffolding protein AFF4 and P-TEFb, resulting in impaired release of Pol II from promoter-proximal pause sites and a reduced average rate of processive transcription elongation· SEC inhibitor KL-1 exhibits an dose-dependent inhibitory effect on AFF4-CCNT1 interaction with a Ki of 3·48 μM

ChemicalCAS900308-84-1MW345.78FormulaC18H16ClNO4
CAS number
900308-84-1
Molecular weight
345.78
Formula
C18H16ClNO4
Solubility
DMSO: 41·67 mg/mL (120·51 mM)
InChIKey
ARTVILCEXNCVIN-UHFFFAOYSA-N
Catalogue number
GC38063
Brand
GLPBIO
Computed properties PubChem CID 75186111 · XLogP 4 · TPSA 75.6 Ų · H-bond donors 2
XLogP
4
TPSA
75.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24

SMILES CC1=C(C=C(C=C1)Cl)NC(=O)C(=O)C=C(C2=CC(=CC=C2)OC)O

Computed descriptors from PubChem (CID 75186111), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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