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ChemicalBook--->CAS DataBase List--->780757-88-2

780757-88-2

780757-88-2 Structure

780757-88-2 Structure
IdentificationBack Directory
[Name]

ICG-001
[CAS]

780757-88-2
[Synonyms]

(S,S)-ICG 001
ICG-001 USP/EP/BP
(6S,9aS)-N-benzyl-6-(4-hydroxybenzyl)-8-(naphthalen-1-ylMethyl)-
(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)-8-NAPHTHALEN-1-YLMETHYL-4,7-DIOXO-HEXAHYDRO-PYRAZINO[1,2-A]PYRIMIDINE-1-CARBOXYLIC ACID BENZYLAMIDE
(6S,9aS)-6-(4-hydroxybenzyl)-N-benzyl-8-(naphthalen-1-ylmethyl)-4,7-dioxo-hexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide
ICG-001;ICG001;(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)-rel-Hexahydro-6-[(4-hydroxyphenyl)Methyl]-8-(1-naphthalenylMethyl)-4,7-dioxo-N-(phenylMethyl)-2H-pyrazino[1,2-a]pyriMidine-1(6H)-carboxaMide
(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
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-
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
[Molecular Formula]

C33H32N4O4
[MDL Number]

MFCD11618010
[MOL File]

780757-88-2.mol
[Molecular Weight]

548.63
Chemical PropertiesBack Directory
[Melting point ]

133-134℃
[Boiling point ]

895.6±65.0 °C(Predicted)
[density ]

1.37
[storage temp. ]

Store at -20°C
[solubility ]

DMSO:30.0(Max Conc. mg/mL);54.68(Max Conc. mM)
[form ]

A crystalline solid
[pka]

9.88±0.15(Predicted)
[color ]

White to off-white
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P330-P302+P352-P321-P304+P340-P305+P351+P338-P332+P313-P362+P364-P337+P313-P403+P233-P405-P501
Hazard InformationBack Directory
[Uses]

ICG 001 is a small molecule inhibitor of Wnt/β-catenin signaling.
[Definition]

ChEBI: (6S,9aS)-6-[(4-hydroxyphenyl)methyl]-8-(1-naphthalenylmethyl)-4,7-dioxo-N-(phenylmethyl)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide is a peptide.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

ICG-001(780757-88-2)1HNMR
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