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BCX 1470 methanesulfonate

CAT: 0931-T13567-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T13567-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
217099-44-0
Target
Complement System, Serine Protease
Related Pathways
Proteases/Proteasome, Immunology/Inflammation
Bioactivity
BCX 1470 methanesulfonate inhibits the esterolytic activity of factor D and C1s (IC50: 96 nM and 1.6 nM), exhibiting 3.4- and 200-fold greater efficacy than trypsin, respectively.
Smiles
CS(O)(=O)=O.NC(=N)c1cc2ccc(OC(=O)c3cccs3)cc2s1
Molecular Formula
C15H14N2O5S3
Molecular Weight
398.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BCX 1470 methanesulfonate
CAS Number217099-44-0
PubChem CID9822204
IUPAC Name(2-carbamimidoyl-1-benzothiophen-6-yl) thiophene-2-carboxylate;methanesulfonic acid
Molecular FormulaC15H14N2O5S3
Molecular Weight398.5
Topological Polar Surface Area195
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity497
SMILES
CS(=O)(=O)O.C1=CSC(=C1)C(=O)OC2=CC3=C(C=C2)C=C(S3)C(=N)N
InChI
InChI=1S/C14H10N2O2S2.CH4O3S/c15-13(16)12-6-8-3-4-9(7-11(8)20-12)18-14(17)10-2-1-5-19-10;1-5(2,3)4/h1-7H,(H3,15,16);1H3,(H,2,3,4)
InChIKey
MCPAUXMAIOICMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BCX 1470 methanesulfonate
CAS: 217099-44-0
CID: 9822204
Formula: C15H14N2O5S3
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass398.00648507
Monoisotopic Mass398.00648507
Topological Polar Surface Area195 Ų
Heavy Atom Count25
Formal Charge0
Complexity497
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS386704-01BCX 1470 methanesulfonate
MBS3603471-01BCX-1470 methanesulfonate
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A11325-10BCX 1470 methanesulfonate 10mg
A11325-100BCX 1470 methanesulfonate 100mg
A11325-25BCX 1470 methanesulfonate 25mg
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A11325-50BCX 1470 methanesulfonate 50mg
A11325-2BCX 1470 methanesulfonate 2mg
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