Toreforant - Moligand™, ≥98% , Histamine H4 receptor antagonist, CAS No.952494-46-1, Histamine H4 receptor antagonist

CAS: 952494-46-1 Cat. No.: T614506 分子式: C23H32N6 分子量: 392.54 PubChem CID: 23650961
注文可能
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
★
Size
USA
ドイツ (EU)*
Price
Qty
1mg
T614506-1mg
受注生産 · 8~12週間
$167.90
5mg
T614506-5mg
受注生産 · 8~12週間
$464.90
25mg
T614506-25mg
受注生産 · 8~12週間
$999.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

Toreforant is a potent and selective histamine H4 receptor (H4R) antagonist, with a Ki at the human receptor of 8.4 nM.

Specifications

同義語
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
仕様と純度
Moligand™, ≥98%
保管条件
Protected from light,Store at -20°C,Argon charged
入荷
Ice chest + Ice pads
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
等級
Moligand™
アクションタイプ
ANTAGONIST
作用メカニズム
Histamine H4 receptor antagonist
純度
≥98%
製品の性質
ALogP4.4
名前と識別子
カノニカル・スマイルCC1=CC(=C2C(=C1)NC(=N2)C3=CN=C(N=C3C)NCCCC4CCN(CC4)C)C
IUPAC Name5-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine
InChIKeyFCRFVPZAXGJLPW-UHFFFAOYSA-N
INCHI1S/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)
異性体SMILES CC1=CC(=C2C(=C1)NC(=N2)C3=CN=C(N=C3C)NCCCC4CCN(CC4)C)C
代替CAS番号 952494-46-1
PubChem CID 23650961
MeSH用語 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
分子量 392.54

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

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
分類Benzimidazoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzimidazoles
Alternative Parents Aminopyrimidines and derivatives  Piperidines  Benzenoids  Imidazoles  Heteroaromatic compounds  Trialkylamines  Azacyclic compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic 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
説明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
3 D構造
インタラクティブ化学構造モデル





関連ターゲット(人間)
HRH4 Tchem Histamine H4 receptor (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
関連ターゲット(非人間)
Hrh4 Histamine H4 receptor (388 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
溶解度Soluble in DMSO
感度Moisture sensitive;Light sensitive
分子量392.500 g/mol
XLogP34.400
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass392.269 Da
Monoisotopic Mass392.269 Da
Topological Polar Surface Area69.700 Ų
Heavy Atom Count29
Formal Charge0
Complexity508.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
ソリューション計算機
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