| Identification | Back Directory | [Name]
LY3039478 | [CAS]
1421438-81-4 | [Synonyms]
LY3039478
Crenigacestat
CRENIGACESTAT (LY3039478)
LY3039478; LY 3039478; LY-3039478; CRENIGACESTAT
4-trifluoro-N-((S)-1-(((S)-5-(2-hydroxyethyl)-6-oxo-6
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
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- | [Molecular Formula]
C22H23F3N4O4 | [MDL Number]
MFCD26142650 | [MOL File]
1421438-81-4.mol | [Molecular Weight]
464.44 |
| Chemical Properties | Back Directory | [Boiling point ]
818.7±65.0 °C(Predicted) | [density ]
1.41±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
≥23.2 mg/mL in DMSO; insoluble in H2O; ≥89.4 mg/mL in EtOH with ultrasonic | [form ]
solid | [pka]
12.75±0.20(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [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. |
|
|