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BMS-3

CAT: 0804-HY-18304-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-18304-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BMS-3 is a potent LIMK inhibitor with IC50s of 5 nM and 6 nM for LIMK1 and LIMK2, respectively.
CAS Number
1338247-30-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
LIM Kinase (LIMK)
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/BMS-3.html
Purity
99.89
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C(C1CC1)NC2=NC=C(C3=CC(C(F)F)=NN3C4=C(Cl)C=CC=C4Cl)S2
Molecular Formula
C17H12Cl2F2N4OS
Molecular Weight
429.27
Precautions
H302, H315, H319, H335
References & Citations
[1]Ross-Macdonald P, et al. Identification of a nonkinase target mediating cytotoxicity of novel kinase inhibitors. Mol Cancer Ther. 2008 Nov;7 (11) :3490-8.|[2]Romarowski A, et al. PKA-dependent phosphorylation of LIMK1 and Cofilin is essential for mouse sperm acrosomal exocytosis. Dev Biol. 2015 Sep 15;405 (2) :237-49.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
LIMK1; LIMK2

Chemical Information

Bms-3
CAS Number1338247-30-5
PubChem CID73265272
IUPAC NameN-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
Molecular FormulaC17H12Cl2F2N4OS
Molecular Weight429.3
XLogP4.5
Topological Polar Surface Area88.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity549
SMILES
C1CC1C(=O)NC2=NC=C(S2)C3=CC(=NN3C4=C(C=CC=C4Cl)Cl)C(F)F
InChI
InChI=1S/C17H12Cl2F2N4OS/c18-9-2-1-3-10(19)14(9)25-12(6-11(24-25)15(20)21)13-7-22-17(27-13)23-16(26)8-4-5-8/h1-3,6-8,15H,4-5H2,(H,22,23,26)
InChIKey
YBGGBHCJSAEIAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms-3
CAS: 1338247-30-5
CID: 73265272
Formula: C17H12Cl2F2N4OS
MW: 429.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.3
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass428.0076939
Monoisotopic Mass428.0076939
Topological Polar Surface Area88.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity549
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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