ChemicalBook--->CAS DataBase List--->1627929-55-8

1627929-55-8

1627929-55-8 Structure

1627929-55-8 Structure
IdentificationBack Directory
[Name]

wu
[CAS]

1627929-55-8
[Synonyms]

CS-2690
PLX51109
PXL51107
PLX51107
PXL 51107 ;PXL-51107
PLX51107;PLX 51107;PLX-51107
4-[6-(3,5-Dimethyl-4-isoxazolyl)-1-[(1S)-1-(2-pyridinyl)ethyl]-1H-pyrrolo[3,2-b]pyridin-3-yl]benzoic Acid
Benzoic acid, 4-[6-(3,5-dimethyl-4-isoxazolyl)-1-[(1S)-1-(2-pyridinyl)ethyl]-1H-pyrrolo[3,2-b]pyridin-3-yl]-
[Molecular Formula]

C26H22N4O3
[MDL Number]

MFCD31657388
[MOL File]

1627929-55-8.mol
[Molecular Weight]

438.48
Chemical PropertiesBack Directory
[Melting point ]

>270°C (dec.)
[Boiling point ]

683.3±55.0 °C(Predicted)
[density ]

1.32±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

DMSO (Slightly, Heated)
[form ]

Solid
[pka]

3.68±0.10(Predicted)
[color ]

White to Off-White
[InChIKey]

AMSUHYUVOVCWTP-INIZCTEOSA-N
[SMILES]

C(O)(=O)C1=CC=C(C2C3=NC=C(C4=C(C)ON=C4C)C=C3N([C@H](C3=NC=CC=C3)C)C=2)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

4-[6-(3,5-Dimethyl-4-isoxazolyl)-1-[(1S)-1-(2-pyridinyl)ethyl]-1H-pyrrolo[3,2-b]pyridin-3-yl]benzoic Acid, is a potent and selective BET inhibitor.
[in vivo]

PLX51107 (2 mg/kg, p.o.) inhibits splenomegaly by 75% in the Ba/F3 (murine IL3-dependent pro-B-cell line) splenomegaly mouse model, with the similar effect of 25 mg/kg OTX015. PLX51107 (20 mg/kg, qd, p.o.) exhibits potent antileukemic effects in disease models of aggressive chronic lymphocytic leukemia (CLL) and Richter transformation (RT) via oral administration once daily[1].

Spectrum DetailBack Directory
[Spectrum Detail]

wu(1627929-55-8)1HNMR
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