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1431525-23-3

1431525-23-3 Structure

1431525-23-3 Structure
IdentificationBack Directory
[Name]

BMX-IN-1
[CAS]

1431525-23-3
[Synonyms]

henyl]-
BMX-IN-1
BMX inhibitor 1
BMX-IN-1 USP/EP/BP
BMX kinase inhibitor
BMX-IN-1 (BMX kinase inhibitor
6]naphthyridin-1(2H)-yl)phenyl)acrylamide
N-(2-methyl-5-(9-(4-(methylsulfonamido)phenyl)-2-oxobenzo[h][1
N-(2-Methyl-5-(9-(4-(MethylsulfonaMido)phenyl)-2-oxobenzo[h][1,6]naphthyridin-1(2H)-yl)phenyl)acrylaMide
BMX-INQ: What is BMX-IN Q: What is the CAS Number of BMX-IN Q: What is the storage condition of BMX-IN
N-[2-Methyl-5-[9-[4-[(methylsulfonyl)amino]phenyl]-2-oxobenzo[h]-1,6-naphthyridin-1(2H)-yl]phenyl]-2-propenamide
2-Propenamide, N-[2-methyl-5-[9-[4-[(methylsulfonyl)amino]phenyl]-2-oxobenzo[h]-1,6-naphthyridin-1(2H)-yl]phenyl]-
BMX KINASE INHIBITOR;N-(2-METHYL-5-(9-(4-(METHYLSULFONAMIDO)PHENYL)-2-OXOBENZO[H][1;6]NAPHTHYRIDIN-1(2H)-YL)PHENYL)ACRYLAMIDE
[Molecular Formula]

C29H24N4O4S
[MDL Number]

MFCD25372042
[MOL File]

1431525-23-3.mol
[Molecular Weight]

524.59
Chemical PropertiesBack Directory
[density ]

1.397±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

insoluble in H2O; insoluble in EtOH; ≥5.25 mg/mL in DMSO
[form ]

solid
[pka]

7.77±0.10(Predicted)
[color ]

White to yellow
[InChIKey]

SFMJNHNUOVADRW-UHFFFAOYSA-N
[SMILES]

C(NC1=CC(N2C3=C(C=NC4=CC=C(C5=CC=C(NS(C)(=O)=O)C=C5)C=C43)C=CC2=O)=CC=C1C)(=O)C=C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

BMX-IN-1 is a selective, irreversible inhibitor of bone marrow tyrosine kinase on chromosome X (BMX; IC50 = 8 nM) that targets Cys496 in the BMX ATP binding domain. It additionally targets the related Bruton’s tyrosine kinase (BTK) with an IC50 value of 10.4 nM, but is more than 47-656-fold less potent for inhibition of Blk, JAK3, EGFR, Itk, or Tec activity. BMX-IN-1 was shown to inhibit the proliferation of Tel-BMX-transformed Ba/F3 prostate cancer cells with a GI50 value of 25 nM. Antiproliferative activity was also observed in RV-1, DU-145, PC-3, and VCAP prostate cancer cell lines (GI50s = 2.54, 4.38, 5.37, and 2.46 μM, respectively).
[Uses]

BMX-IN-1 is a selective, irreversible inhibitor of bone marrow tyrosine kinase on chromosome X (BMX) that targets Cys496 in the BMX ATP binding domain with an IC50 of 8 nM, also targets the related Bruton’s tyrosine kinase (BTK) with an IC50 value of 10.4 nM, but is more than 47-656-fold less potent against Blk, JAK3, EGFR, Itk, or Tec activity.
[target]

BMX Kinase
[storage]

Store at -20°C
[References]

[1] Feiyang Liu , et al. Discovery of a Selective Irreversible BMX Inhibitor for Prostate Cancer. ACS Chem. Biol., DOI: 10.1021/cb4000629
Spectrum DetailBack Directory
[Spectrum Detail]

BMX-IN-1(1431525-23-3)1HNMR
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