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BMX-IN-1

CAT: 0804-HY-80002-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-80002-01Size:5 mg
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Description
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.
CAS Number
1431525-23-3
Product Name Alternative
BMX kinase inhibitor
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
BMX Kinase; Btk
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/BMX-IN-1.html
Purity
99.04
Solubility
DMF : 10 mg/mL (ultrasonic) |DMSO : 8.33 mg/mL (ultrasonic)
Smiles
O=C1N(C2=C(C=C1)C=NC3=CC=C(C4=CC=C(NS(=O)(C)=O)C=C4)C=C32)C5=CC=C(C)C(NC(C=C)=O)=C5
Molecular Formula
C29H24N4O4S
Molecular Weight
524.59
Precautions
H302, H315, H319, H335
References & Citations
[1]Feiyang Liu , et al. Discovery of a Selective Irreversible BMX Inhibitor for Prostate Cancer. ACS Chem. Biol., DOI: 10.1021/cb4000629
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Bmx-IN-1

a BMX tyrosine kinase inhibitor; structure in first source

CAS Number1431525-23-3
PubChem CID71576693
IUPAC NameN-[5-[9-[4-(methanesulfonamido)phenyl]-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide
Molecular FormulaC29H24N4O4S
Molecular Weight524.6
XLogP4.1
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity1030
SMILES
CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CC=C(C=C5)NS(=O)(=O)C)NC(=O)C=C
InChI
InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)
InChIKey
SFMJNHNUOVADRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bmx-IN-1
CAS: 1431525-23-3
CID: 71576693
Formula: C29H24N4O4S
MW: 524.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.6
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass524.15182643
Monoisotopic Mass524.15182643
Topological Polar Surface Area117 Ų
Heavy Atom Count38
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
A3260-50BMX-IN-1
A15027-100BMX-IN-1 100mg
A15027-5BMX-IN-1 5mg
A15027-50BMX-IN-1 50mg
A15027-25BMX-IN-1 25mg
A15027-10BMX-IN-1 10mg
A15027-1BMX-IN-1 1mg
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