ICG-001 antagonized Wnt/β-catenin/ TCF-mediated transcription and specifically bound to promoter binding protein (CBP) with an IC50 of 3 μM, but not to the relevant transcriptional coactivator p300. ICG-001 could induce apoptosis.

 

Brand: BCM

 

Target: Apoptosis; Epigenetic Reader Domain; Wnt/beta-catenin

 

Signaling Pathways: Apoptosis; Chromatin/Epigenetic; Cytoskeletal Signaling; Stem Cells

 

Melting Point: 133-134℃

 

Boiling Point: 895.6±65.0 °C(Predicted)

 

pKa: 9.88±0.15(Predicted)

 

Solubility: Soluble in DMSO; Soluble in Ethanol. Insoluble in Water.

 

GHS: GHS07

 

Isomeric SMILES: C1CN([C@H]2CN(C(=O)[C@@H](N2C1=O)CC3=CC=C(C=C3)O)CC4=CC=CC5=CC=CC=C54)C(=O)NCC6=CC=CC=C6  

 

InChIKey: HQWTUOLCGKIECB-XZWHSSHBSA-N  

 

InChI: InChI=1S/C33H32N4O4/c38-27-15-13-23(14-16-27)19-29-32(40)35(21-26-11-6-10-25-9-4-5-12-28(25)26)22-30-36(18-17-31(39)37(29)30)33(41)34-20-24-7-2-1-3-8-24/h1-16,29-30,38H,17-22H2,(H,34,41)/t29-,30+/m0/s1

 

Attribute
[Chem Name]	(6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-8-(naphthalen-1-ylmethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide
[Synonym]	ICG-001
[CAS No.]	780757-88-2 (relative stereochemistry)
[MDL No.]	MFCD12196918
[Formula]	C33H32N4O4
[Molecular]	548.63
[Form]	Solid Powder
[Storage]	Sealed in dry, 2-8°C

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