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

CAS: 952494-46-1 Cat. No.: T614506 분자식: C23H32N6 분자량: 392.54 PubChem CID: 23650961
주문 가능
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
독일 (EU)*
Price
Qty
1mg
T614506-1mg
주문제작 · 8~12주
US$167.90
5mg
T614506-5mg
주문제작 · 8~12주
US$464.90
25mg
T614506-25mg
주문제작 · 8~12주
US$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.

개요

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

Specifications

동의어
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
사양 및 순도
Moligand™, ≥98%
보관 조건
Protected from light,Store at -20°C,Argon charged
배송
Ice chest + Ice pads
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
등급
Moligand™
작업 유형
ANTAGONIST
작동 메커니즘
Histamine H4 receptor antagonist
순수함
≥98%
제품 특성
ALogP4.4
이름과 식별자
정식 스마일CC1=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)
이성체 SMILES CC1=CC(=C2C(=C1)NC(=N2)C3=CN=C(N=C3C)NCCCC4CCN(CC4)C)C
대체 CAS 952494-46-1
PubChem CID 23650961
MeSH 용어 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
분자량 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
분류Benzimidazoles
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
설명This 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
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
HRH4 Tchem Histamine H4 receptor (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
관련 대상(비인간)
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
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
용해성Soluble in DMSO
감도Moisture sensitive;Light sensitive
분자량392.500 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
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리뷰

고객 리뷰

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