1421438-81-4

Basic information

• Product Name: LY3039478
• Synonyms: LY3039478;4,4,4-Trifluoro-N-((S)-1-(((S)-5-(2-hydroxyethyl)-6-oxo-6,7-dihydro-5H-benzo[d]pyrido[2,3-b]azepin-7-yl)amino)-1-oxopropan-2-yl)butanamide;N-[(1S)-2-[[(7S)-6,7-Dihydro-5-(2-hydroxyethyl)-6-oxo-5H-pyrido[3,2-a][3]benzazepin-7-yl]amino]-1-methyl-2-oxoethyl]-4,4,4-trifluorobutanamide;Crenigacestat;Butanamide, N-[(1S)-2-[[(7S)-6,7-dihydro-5-(2-hydroxyethyl)-6-oxo-5H-pyrido[3,2-a][3]benzazepin-7-yl]amino]-1-methyl-2-oxoethyl]-4,4,4-trifluoro-
• CAS NO: 1421438-81-4
• Molecular Formula: C22H23F3N4O4
• Molecular Weight: 464.4376296
• Product Categories: APIS
• Mol File: 1421438-81-4.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 818.7±65.0 °C(Predicted)
• Appearance: /
• Density: 1.41±0.1 g/cm3(Predicted)
• Solubility: ≥23.2 mg/mL in DMSO; insoluble in H2O; ≥89.4 mg/mL in EtOH with ultrasonic
• PKA: 12.75±0.20(Predicted)
• CAS DataBase Reference: LY3039478(CAS DataBase Reference)
• NIST Chemistry Reference: LY3039478(1421438-81-4)
• EPA Substance Registry System: LY3039478(1421438-81-4)

Safety Data

• Hazardous Substances Data: 1421438-81-4(Hazardous Substances Data)

Usage

Uses

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

Biological Activity

ly3039478 is a novel and potent notch inhibitor with ic50 of 0.41 nm.the novel and unique notch inhibitor, ly3039478, has progressed into clinical development by lilly co. ltd. ly3039478 displays the best overall profile and is unique within the sar investigated. ly3039478 displays interesting atropisomer phenomena. the average ly3039478 major/minor rotational isomer ratio ranged between 14 and 28 in plasma. the crystalline monohydrate form of ly3039478 consists of a single rotational isomer and is chemically and physically stable for at least 14 days under accelerated stability test conditions.

references

warren j. porter. discovery of a novel notch inhibitor. the 8th sci-rsc symposium on proteinase inhibitor design april 15-16, 2013, basel, switzerland.

Upstream product

• 1421438-98-3 tert-butyl N-[(1S)-2-[[5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]amino]-1-methyl-2-oxo-ethyl]carbamate 
• 406-93-9 4,4,4-trifluorobutyric acid 
• 1421439-00-0 (2S)-2-amino-N-[(7S)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]propanamide 
• 1421438-96-1 (2S)-2-amino-N-[5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]propanamide 
• 1421438-95-0 tert-butyl N-[(1S)-2-[[5-[2-(tert-butyl(dimethyl)silyl)oxyethyl]-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]amino]-1-methyl-2-oxo-ethyl]carbamate 
• 1421438-93-8 7-amino-5-[2-(tert-butyl(dimethyl)silyl)oxyethyl]-7H-pyrido[2,3-d][3]benzazepin-6-one 
• 1421438-92-7 7-azido-5-[2-(tert-butyl(dimethyl)silyl)oxyethyl]-7H-pyrido[2,3-d][3]benzazepin-6-one 
• 1421438-87-0 5-[2-(tert-butyl(dimethyl)silyl)oxyethyl]-7-hydroxyimino-pyrido[2,3-d][3]benzazepin-6-one 
• 1421438-86-9 5-[2-(tert-butyl(dimethyl)silyl)oxyethyl]-7H-pyrido[2,3-d][3]benzazepin-6-one 
• 1421438-85-8 5,7-dihydropyrido[2,3-d][3]benzazepin-6-one 
• 956229-86-0 methyl 2-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate 
• 57486-69-8 methyl 2-(2-bromophenyl)acetate 
• 18698-97-0 ortho-bromophenylacetic acid 
• 1421438-84-7 (2S)-2-(4,4,4-trifluorobutanoylamino)propanoic acid 

Relevant articles and documents

TARGETED TREATMENT OF LEIOMYOSARCOMA

A method and medicament comprising 4,4,4-trifluoro-N-[(1S)-2-[[(7S)-5-(2- hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]amino]-1-methyl-2-oxo- ethyl]butanamide or a pharmaceutically acceptable salt or hydrate thereof for treating leiomyosarcoma i