ICG-001

Base Information

• Chemical Name: ICG-001
• CAS No.: 780757-88-2
• Molecular Formula: C33H32N4O4
• Molecular Weight: 548.64
• ChEMBL ID: CHEMBL2312139
• Nikkaji Number: J2.088.187I
• Wikidata: Q27166797
• Mol file: 780757-88-2.mol

Synonyms:2H-PYRAZINO[1,2-A]PYRIMIDINE-1(6H)-CARBOXAMIDE,HEXAHYDRO-6-[(4-HYDROXYPHENYL)METHYL]-8-(1-NAPHTHALENYLMETHYL)-4,7-DIOXO-N-(PHENYLMETHYL)-,(6R,9AR)-REL-;(6S,9aS)-N-benzyl-6-(4-hydroxybenzyl)-8-(naphthalen-1-ylmethyl)-4,7-dioxooctahydro-1H-pyrazino[1,2-a]pyrimidine-1-carboxamide;(6S,9aS)-6-(4-hydroxybenzyl)-N-benzyl-8-(naphthalen-1-ylmethyl)-4,7-dioxo-hexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide;(6S,9aS)-N-benzyl-6-(4-hydroxybenzyl)-8-(naphthalen-1-ylMethyl)-;(6S,9AS)-6-(4-HYDROXYBENZYL)-8-NAPHTHALEN-1-YLMETHYL-4,7-DIOXO-HEXAHYDRO-PYRAZINO[1,2-A]PYRIMIDINE-1-CARBOXYLIC ACID BENZYLAMIDE;(6S,9aS)-rel-Hexahydro-6-[(4-hydroxyphenyl)Methyl]-8-(1-naphthalenylMethyl)-4,7-dioxo-N-(phenylMethyl)-2H-pyrazino[1,2-a]pyriMidine-1(6H)-carboxaMide;(S,S)-ICG 001;(6R,9aR)-rel-Hexahydro-6-[(4-hydroxyphenyl)methyl]-8-(1-naphthalenylmethyl)-4,7-dioxo-N-(phenylmethyl)-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide

Chemical Property of ICG-001

Chemical Property:

• Vapor Pressure: 5.48E-34mmHg at 25°C
• Melting Point: 133-134℃
• Boiling Point: 895.6°C at 760 mmHg
• PKA: 9.88±0.15(Predicted)
• Flash Point: 495.4°C
• PSA: 93.19000
• Density: 1.37
• LogP: 4.47370
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 548.24235551
• Heavy Atom Count: 41
• Complexity: 930

Purity/Quality:

99% ^*data from raw suppliers

ICG001 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C2CN(C(=O)C(N2C1=O)CC3=CC=C(C=C3)O)CC4=CC=CC5=CC=CC=C54)C(=O)NCC6=CC=CC=C6
• 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
• Uses: ICG 001 is a small molecule inhibitor of Wnt/β-catenin signaling.