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Toreforant

CAT: 0013-GTR19202978-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202978-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Toreforant is an effective and selective histamine H4 receptor antagonist (Ki at the human receptor: 8.4 nM) .
CAS Number
952494-46-1
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Smiles
CN1CCC (CCCNc2ncc (-c3nc4cc (C) cc (C) c4[nH]3) c (C) n2) CC1
Molecular Formula
C23H32N6
Molecular Weight
392.54
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Toreforant

Toreforant has been used in trials studying the treatment of Asthma, Psoriasis, Hepatic Impairment, and Rheumatoid Arthritis.

CAS Number952494-46-1
PubChem CID23650961
IUPAC Name5-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine
Molecular FormulaC23H32N6
Molecular Weight392.5
XLogP4.4
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity508
SMILES
CC1=CC(=C2C(=C1)NC(=N2)C3=CN=C(N=C3C)NCCCC4CCN(CC4)C)C
InChI
InChI=1S/C23H32N6/c1-15-12-16(2)21-20(13-15)27-22(28-21)19-14-25-23(26-17(19)3)24-9-5-6-18-7-10-29(4)11-8-18/h12-14,18H,5-11H2,1-4H3,(H,27,28)(H,24,25,26)
InChIKey
FCRFVPZAXGJLPW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Toreforant
CAS: 952494-46-1
CID: 23650961
Formula: C23H32N6
MW: 392.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.5
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass392.26884505
Monoisotopic Mass392.26884505
Topological Polar Surface Area69.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity508
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
HY-16756-01Toreforant
A21058-100Toreforant 100mg
A21058-25Toreforant 25mg
A21058-10Toreforant 10mg
A21058-1Toreforant 1mg
A21058-50Toreforant 50mg
A21058-5Toreforant 5mg

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