EPZ004777

Base Information

• Chemical Name: EPZ004777
• CAS No.: 1338466-77-5
• Molecular Formula: C28H41N7O4
• Molecular Weight: 539.67
• Mol file: 1338466-77-5.mol

Synonyms:1-(3-((((2R,3S,4R,5R)-5-(4-Amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(isopropyl)amino)propyl)-3-(4-(tert-butyl)phenyl)urea;

Chemical Property of EPZ004777

Chemical Property:

• Appearance/Colour: Solid powder
• Boiling Point: 740.7±60.0 °C(Predicted)
• PKA: 12.51±0.70(Predicted)
• PSA: 150.79000
• Density: 1.33±0.1 g/cm3 (20 oC 760 Torr)
• LogP: 3.89750
• Solubility.: ≥27 mg/mL in DMSO; insoluble in H2O; ≥94.6 mg/mL in EtOH with ultrasonic

Purity/Quality:

99% ^*data from raw suppliers

EPZ004777 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: EPZ 004777 is potent small molecule inhibitor of protein lysine methyltransferase DOT1L.

Technology Process of EPZ004777

There total 3 articles about EPZ004777 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: 72.0%

1-(4-(tert-butyl)phenyl)-3-(3-oxopropyl)urea (1381761-53-0) + C14H21N5O3 → 1-(3-((((2R,3S,4R,5R)-5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl) (isopropyl)amino)propyl)-3-(4-(tertbutyl)phenyl)urea (1338466-77-5)

Guidance literature:

With sodium tris(acetoxy)borohydride; acetic acid; In acetonitrile; at 20 ℃; Inert atmosphere;

Reference yield:

tubercidin (69-33-0) → 1-(3-((((2R,3S,4R,5R)-5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl) (isopropyl)amino)propyl)-3-(4-(tertbutyl)phenyl)urea (1338466-77-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: pyridine / acetonitrile / 0.17 h / 0 °C / Inert atmosphere

1.2: 0 - 20 °C

1.3: 0.5 h

2.1: 48 h / 100 °C

3.1: acetic acid; sodium tris(acetoxy)borohydride / acetonitrile / 20 °C / Inert atmosphere

With pyridine; sodium tris(acetoxy)borohydride; acetic acid; In acetonitrile;

Reference yield:

(2R,3R,4S,5S)-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(chloromethyl)tetrahydrofuran-3,4-diol (53458-85-8) → 1-(3-((((2R,3S,4R,5R)-5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl) (isopropyl)amino)propyl)-3-(4-(tertbutyl)phenyl)urea (1338466-77-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 48 h / 100 °C

2: acetic acid; sodium tris(acetoxy)borohydride / acetonitrile / 20 °C / Inert atmosphere

With sodium tris(acetoxy)borohydride; acetic acid; In acetonitrile;

upstream raw materials:

tubercidin

(2R,3R,4S,5S)-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(chloromethyl)tetrahydrofuran-3,4-diol

1-(4-(tert-butyl)phenyl)-3-(3-oxopropyl)urea

Refernces