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Chemical structure of BCL6-IN-6

GC65257

BCL6-IN-6

Also known as 5-(cyclopenten-1-yl)-N-[4-[[2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-fluoropyrimidin-4-yl]amino]-2-methoxyphenyl]thiophene-2-carboxamide

BCL6-IN-6 is a potent inhibitor of transcriptional repressor B-cell lymphoma 6 (BCL6)· BCL6-IN-6 significantly blocks the interaction of BCL6 with its corepressors and reactivates BCL6 target genes in a dose-dependent manner· BCL6-IN-6 has the potential for the research of diffuse large B-cell lymphoma (DLBCL)

ChemicalCAS2408882-54-0MW522.64FormulaC27H31FN6O2S
CAS number
2408882-54-0
Molecular weight
522.64
Formula
C27H31FN6O2S
InChIKey
VJFKSXHAFLCLLP-CALCHBBNSA-N
Catalogue number
GC65257
Brand
GLPBIO
Computed properties PubChem CID 155549001 · XLogP 4.9 · TPSA 120 Ų · H-bond donors 3
XLogP
4.9
TPSA
120 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
37

SMILES C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=N2)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(S4)C5=CCCC5)OC)F

Computed descriptors from PubChem (CID 155549001), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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