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Seliforant

CAT: 0931-T28746-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T28746-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1164115-89-2
Target
Others, Histamine Receptor
Related Pathways
Neuroscience, GPCR/G Protein, Others, Immunology/Inflammation
Bioactivity
Seliforant is a histamine H4 receptor antagonist.
Smiles
CNC1CN(C1)c1cc(N)nc(CC(C)C)n1
Molecular Formula
C12H21N5
Molecular Weight
235.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Seliforant

Seliforant is under investigation in clinical trial NCT01260753 (Proof of Activity Study of UR-63325 in Allergic Rhinitis Induced by Nasal Challenge).

CAS Number1164115-89-2
PubChem CID44126305
IUPAC Name6-[3-(methylamino)azetidin-1-yl]-2-(2-methylpropyl)pyrimidin-4-amine
Molecular FormulaC12H21N5
Molecular Weight235.33
XLogP1.3
Topological Polar Surface Area67.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity239
SMILES
CC(C)CC1=NC(=CC(=N1)N2CC(C2)NC)N
InChI
InChI=1S/C12H21N5/c1-8(2)4-11-15-10(13)5-12(16-11)17-6-9(7-17)14-3/h5,8-9,14H,4,6-7H2,1-3H3,(H2,13,15,16)
InChIKey
QRBVUFXEMHNIDB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Seliforant
CAS: 1164115-89-2
CID: 44126305
Formula: C12H21N5
MW: 235.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.33
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass235.17969569
Monoisotopic Mass235.17969569
Topological Polar Surface Area67.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity239
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

Alternative Products

CatalogName
BA5421-25Seliforant

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