ICG-001

Base Information

• Chemical Name: ICG-001
• CAS No.: 847591-62-2
• Molecular Formula: C₃₃H₃₂N₄O₄
• Molecular Weight: 548.641
• Mol file: 847591-62-2.mol

Synonyms:(6S,9aS)-6-(4-Hydroxybenzyl)-8-naphthalen-1-ylmethyl-4,7-dioxo-hexahydro-pyrazino[1,2-a]pyrimidine-1-carboxylic acid benzylamide;

Chemical Property of ICG-001

Chemical Property:

• Boiling Point: 895.6 °C at 760 mmHg
• Flash Point: 495.4 °C
• PSA: 96.68000
• Density: 1.37 g/cm³
• LogP: 4.28720
• Storage Temp.: +2C to +8C
• Solubility.: Soluble in DMSO (up to 50 mg/ml) or in Ethanol (up to 25 mg/ml).

Purity/Quality:

98% HPLC ^*data from raw suppliers

(S,S)-ICG001 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Description: ICG-001 (847591-62-2) inhibits TCF/β-catenin mediated transcription by specifically blocking β-catenin/CBP interaction
• Uses: (S,S)-ICG 001 is a β-turn peptidomimetic molecule inhibitor of β-catenin-Tcf-mediated transcription.

Technology Process of ICG-001

There total 7 articles about ICG-001 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 76.0%

(S)-2-[3-(3-benzyl-ureido)-propionylamino]-3-(4-tert-butoxy-phenyl)-N-(2,2-diethoxy-ethyl)-N-naphthalen-1-ylmethyl-propionamide → (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 (847591-62-2)

Guidance literature:

With formic acid; at 20 ℃; for 16h;

DOI:10.1016/j.tet.2007.10.048

Reference yield:

{(S)-2-(4-tert-butoxy-phenyl)-1-[(2,2-diethoxy-ethyl)-naphthalen-1-ylmethyl-carbamoyl]-ethyl}-carbamic acid 9H-fluoren-9-ylmethyl ester → (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 (847591-62-2)

Guidance literature:

Multi-step reaction with 5 steps

1.1: diethylamine / dichloromethane / 2 h / 20 °C

2.1: HATU; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0.33 h

2.2: 14 h / 20 °C

3.1: diethylamine / dichloromethane / 1 h / 20 °C

4.1: dichloromethane / 12 h / 20 °C

5.1: formic acid / 20 h / 20 °C

With formic acid; diethylamine; N-ethyl-N,N-diisopropylamine; HATU; In dichloromethane; N,N-dimethyl-formamide;

Reference yield:

(S)-2-(3-amino-propionylamino)-3-(4-tert-butoxy-phenyl)-N-(2,2-diethoxy-ethyl)-N-naphthalen-1-ylmethyl-propionamide → (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 (847591-62-2)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane / 12 h / 20 °C

2: formic acid / 20 h / 20 °C

With formic acid; In dichloromethane;

upstream raw materials:

1-naphthaldehyde

2,2-diethoxy-N-(naphthalen-1-ylmethyl)ethan-1-amine

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