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Anpirtoline free base

CAT: 0931-T68189-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T68189-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
98330-05-3
Target
Others, 5-HT Receptor
Related Pathways
Neuroscience, GPCR/G Protein, Others
Bioactivity
Anpirtoline free base is a highly potent 5-HT1B receptor agonist. Anpirtoline has been shown to decreases central serotonin synthesis and attenuate aggressive behavior in vivo. Anpirtoline also acts as an antagonist at 5-HT3 receptors and can bypass the blood-brain barrier.
Smiles
S(C=1N=C(Cl)C=CC1)C2CCNCC2
Molecular Formula
C10H13ClN2S
Molecular Weight
228.74
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Anpirtoline

2-chloro-6-(4-piperidinylthio)pyridine is an aryl sulfide.

CAS Number98330-05-3
PubChem CID65854
IUPAC Name2-chloro-6-piperidin-4-ylsulfanylpyridine
Molecular FormulaC10H13ClN2S
Molecular Weight228.74
XLogP2.8
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity174
SMILES
C1CNCCC1SC2=NC(=CC=C2)Cl
InChI
InChI=1S/C10H13ClN2S/c11-9-2-1-3-10(13-9)14-8-4-6-12-7-5-8/h1-3,8,12H,4-7H2
InChIKey
GGALEXMXDMUMDM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anpirtoline
CAS: 98330-05-3
CID: 65854
Formula: C10H13ClN2S
MW: 228.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.74
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass228.0487973
Monoisotopic Mass228.0487973
Topological Polar Surface Area50.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity174
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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