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BF-1

CAT: 0931-T26781-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T26781-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
518980-66-0
Target
5-HT Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Purity
>99.99%
Bioactivity
BF-1 is a novel selective 5-HT2 receptor antagonist that acts by blocking neurogenic dural plasma protein extravasation induced by mCPP or BW723C86.BF-1 is used in the study of migraine.
Smiles
O(C1=CC=CC=2SC=3C=C(OCC)C=CC3C(C12)=C4CCN(C)CC4)C
Molecular Formula
C22H25NO2S
Molecular Weight
367.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Piperidine, 4-(6-ethoxy-1-methoxy-9H-thioxanthen-9-ylidene)-1-methyl-

BF-1 is an investigational 5-HT2B receptor antagonist developed for the prophylaxis of Migraines.

CAS Number518980-66-0
PubChem CID10287037
IUPAC Name4-(6-ethoxy-1-methoxythioxanthen-9-ylidene)-1-methylpiperidine
Molecular FormulaC22H25NO2S
Molecular Weight367.5
XLogP4.2
Topological Polar Surface Area47
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity512
SMILES
CCOC1=CC2=C(C=C1)C(=C3CCN(CC3)C)C4=C(C=CC=C4S2)OC
InChI
InChI=1S/C22H25NO2S/c1-4-25-16-8-9-17-20(14-16)26-19-7-5-6-18(24-3)22(19)21(17)15-10-12-23(2)13-11-15/h5-9,14H,4,10-13H2,1-3H3
InChIKey
ANZVBVKYXOGOQC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Piperidine, 4-(6-ethoxy-1-methoxy-9H-thioxanthen-9-ylidene)-1-methyl-
CAS: 518980-66-0
CID: 10287037
Formula: C22H25NO2S
MW: 367.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.5
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass367.16060021
Monoisotopic Mass367.16060021
Topological Polar Surface Area47 Ų
Heavy Atom Count26
Formal Charge0
Complexity512
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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