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· · COA & SDS available for every product · Same-day shipping on in-stock items Toreforant - Moligand™, ≥98% , Histamine H4 receptor antagonist, CAS No.952494-46-1, Histamine H4 receptor antagonist
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98% Synonyms
BT166504 | Toreforant | 5-(4,6-Dimethyl-1H-benzoimidazol-2-yl)-4-methyl-pyrimidin-2-yl-[3-(1-methyl-piperidin-4-yl)-propyl]-amine | AI3-15349 | FCRFVPZAXGJLPW-UHFFFAOYSA-N | 1,3-Butadiene 50 microg/mL in N,N-Dimethylacetamide | GTPL9276 | SB17039 | JNJ-38
Storage
Protected from light,Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Protected from light,Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview
Toreforant is a potent and selective histamine H4 receptor (H4R) antagonist, with a Ki at the human receptor of 8.4 nM.
Specifications Synonyms
BT166504 | Toreforant | 5-(4,6-Dimethyl-1H-benzoimidazol-2-yl)-4-methyl-pyrimidin-2-yl-[3-(1-methyl-piperidin-4-yl)-propyl]-amine | AI3-15349 | FCRFVPZAXGJLPW-UHFFFAOYSA-N | 1,3-Butadiene 50 microg/mL in N,N-Dimethylacetamide | GTPL9276 | SB17039 | JNJ-38
Specifications & Purity
Moligand™, ≥98%
Storage
Protected from light,Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Mechanism of action
Histamine H4 receptor antagonist
Product Properties Names and Identifiers Canonical Smiles
CC1=CC(=C2C(=C1)NC(=N2)C3=CN=C(N=C3C)NCCCC4CCN(CC4)C)C
IUPAC Name
5-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine
InChIKey
FCRFVPZAXGJLPW-UHFFFAOYSA-N
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)
Isomeric SMILES
CC1=CC(=C2C(=C1)NC(=N2)C3=CN=C(N=C3C)NCCCC4CCN(CC4)C)C
Alternate CAS
952494-46-1
MeSH Entry Terms
2-pyrimidinamine, 5-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-methyl-N-(3-(1-methyl-4-piperidinyl)propyl)-;5-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-methyl-N-(3-(1-methyl-4-piperidinyl)propyl)-2-pyrimidinamine;toreforant
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Benzimidazoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzimidazoles Alternative Parents Aminopyrimidines and derivatives Piperidines Benzenoids Imidazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzimidazole - Aminopyrimidine - Piperidine - Pyrimidine - Benzenoid - Imidazole - Azole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds). External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in DMSO Sensitivity Moisture sensitive；Light sensitive Molecular Weight 392.500 g/mol XLogP3 4.400 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 6 Exact Mass 392.269 Da Monoisotopic Mass 392.269 Da Topological Polar Surface Area 69.700 Ų Heavy Atom Count 29 Formal Charge 0 Complexity 508.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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Reconstitution Calculator Reviews Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
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