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BCX-3607

CAT: 0931-T207179-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T207179-02Size:50 mg
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CAS Number
885684-79-7
Target
Others
Related Pathways
Others
Bioactivity
BCX-3607 is an orally active tissue factor/factor VIIa (TF-FVIIa) inhibitor with an IC50 of 4 nM. By inhibiting the TF-FVIIa complex, it effectively blocks the extrinsic coagulation pathway and significantly prolongs prothrombin time (PT) . BCX-3607 exhibits higher selectivity for TF-FVIIa over other serine proteases like thrombin and FXa. It reduces thrombus weight and inflammation, offering dual anti-thrombotic and anti-inflammatory effects. BCX-3607 is applicable in research on thrombosis-related diseases.
Smiles
O=C(O)C1=CC(=CC=C1C=2C=CC(C=C)=CC2CNC3=NC=C(C=C3)C(=N)N)C(=O)NCC(C)C
Molecular Formula
C27H29N5O3
Molecular Weight
471.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bcx-3607

a small molecule tissue factor/factor VIIa inhibitor with antithrombotic and anti-inflammatory effects; structure in first source

CAS Number885684-79-7
PubChem CID9912630
IUPAC Name2-[2-[[(5-carbamimidoyl-2-pyridinyl)amino]methyl]-4-ethenylphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid
Molecular FormulaC27H29N5O3
Molecular Weight471.5
XLogP4.2
Topological Polar Surface Area141
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity757
SMILES
CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C=C(C=C2)C=C)CNC3=NC=C(C=C3)C(=N)N)C(=O)O
InChI
InChI=1S/C27H29N5O3/c1-4-17-5-8-21(20(11-17)15-31-24-10-7-19(14-30-24)25(28)29)22-9-6-18(12-23(22)27(34)35)26(33)32-13-16(2)3/h4-12,14,16H,1,13,15H2,2-3H3,(H3,28,29)(H,30,31)(H,32,33)(H,34,35)
InChIKey
HHFWQMFTPDFWLM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bcx-3607
CAS: 885684-79-7
CID: 9912630
Formula: C27H29N5O3
MW: 471.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight471.5
XLogP34.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass471.22703980
Monoisotopic Mass471.22703980
Topological Polar Surface Area141 Ų
Heavy Atom Count35
Formal Charge0
Complexity757
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