LY3039478

Base Information

• Chemical Name: LY3039478
• CAS No.: 1421438-81-4
• Molecular Formula: C22H23F3N4O4
• Molecular Weight: 464.44
• Mol file: 1421438-81-4.mol

Synonyms:4-trifluoro-N-((S)-1-(((S)-5-(2-hydroxyethyl)-6-oxo-6;3-b]azepin-7-yl)amino)-1-oxopropan-2-yl)butanamide;4;7-dihydro-5H-benzo[d]pyrido[2;

Chemical Property of LY3039478

Chemical Property:

• Boiling Point: 818.7±65.0 °C(Predicted)
• PKA: 12.75±0.20(Predicted)
• PSA: 111.63000
• Density: 1.41±0.1 g/cm3(Predicted)
• LogP: 2.93880
• Solubility.: ≥23.2 mg/mL in DMSO; insoluble in H2O; ≥89.4 mg/mL in EtOH with ultrasonic

Purity/Quality:

99%, ^*data from raw suppliers

LY3039478 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: LY 3039478 is used in the preparation of medicaments for combination antitumor therapy with Notch and PD-1 or PD-Li inhibitors.

Technology Process of LY3039478

There total 17 articles about LY3039478 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: 65.3%

4,4,4-trifluorobutyric acid (406-93-9) + (2S)-2-amino-N-[(7S)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]propanamide (1421439-00-0) → LY3039478 (1421438-81-4)

Guidance literature:

4,4,4-trifluorobutyric acid; (2S)-2-amino-N-[(7S)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]propanamide; With benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 0 - 5 ℃; Inert atmosphere;

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 0 - 25 ℃;

Reference yield: 65.0%

(2S)-2-(4,4,4-trifluorobutanoylamino)propanoic acid (1421438-84-7) + (7S)-7-amino-5-(2-hydroxyethyl)-7H-pyrido[2,3-d][3]benzazepin-6-one (1421438-88-1) → LY3039478 (1421438-81-4)

Guidance literature:

(2S)-2-(4,4,4-trifluorobutanoylamino)propanoic acid; (7S)-7-amino-5-(2-hydroxyethyl)-7H-pyrido[2,3-d][3]benzazepin-6-one; With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 0 ℃; for 0.0833333h;

With benzotriazol-1-ol; In dichloromethane; at 0 - 20 ℃;

Reference yield: 37.0%

4,4,4-trifluorobutyric acid (406-93-9) + (2S)-2-amino-N-[5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]propanamide (1421438-96-1) → LY3039478 (1421438-81-4)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 0 - 20 ℃;

upstream raw materials:

2-bromophenylacetyl chloride

rac-7-amino-5-(2-hydroxyethyl)-7H-pyrido[2,3-d][3]benzazepin-6-one

(2S)-2-(4,4,4-trifluorobutanoylamino)propanoic acid

(7S)-7-amino-5-(2-hydroxyethyl)-7H-pyrido[2,3-d][3]benzazepin-6-one

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