Bepotastine Besilate - ≥98% , Histamine H1 receptor antagonist, CAS No.190786-44-8, Histamine H1 receptor antagonist

CAS: 190786-44-8 Cat. No.: B129218 Molecular Weight: 547.06 EC Number: 878-395-1

GRADE & PURITY ≥98%

Synonyms

N/A | 1-Piperidinebutanoic acid, 4-((4-chlorophenyl)-2-pyridinylmethoxy)- (S)-, monobenzenesulfonate | BEPOTASTINE BESILATE [VANDF] | Bepotastine besilate (JP17) | s3037 | CHEBI:31281 | AC-24015 | BEPOTASTINE BESILATE [ORANGE BOOK] | (S)-4-(4-((4-chloroph

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Bepotastine is a non-sedating, selective antagonist of histamine 1 (H1) receptor with pIC50 of 5.7.
Bepotastine Beslilate is a histamine H1 receptor anatagonist.

Specifications

Synonyms

N/A | 1-Piperidinebutanoic acid, 4-((4-chlorophenyl)-2-pyridinylmethoxy)- (S)-, monobenzenesulfonate | BEPOTASTINE BESILATE [VANDF] | Bepotastine besilate (JP17) | s3037 | CHEBI:31281 | AC-24015 | BEPOTASTINE BESILATE [ORANGE BOOK] | (S)-4-(4-((4-chloroph

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Bepotastine Beslilate also suppresses some allergic inflammatory processes such as allergic rhinitis, chronic urticaria or pruritus associated with skin conditions (eczema/dermatitis, prurigo or pruritus cutaneus).Bepotastine Beslilate (Bepreve) is usefu

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Mechanism of action

Histamine H1 receptor antagonist

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488188364
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188364
• Canonical Smiles: C1CN(CCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCC(=O)O.C1=CC=C(C=C1)S(=O)(=O)O
• IUPAC Name: benzenesulfonic acid;4-[4-[(S)-(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]butanoic acid
• InChIKey: UDGHXQPQKQPSBB-BOXHHOBZSA-N
• INCHI: 1S/C21H25ClN2O3.C6H6O3S/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26;7-10(8,9)6-4-2-1-3-5-6/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26);1-5H,(H,7,8,9)/t21-;/m0./s1
• Isomeric SMILES: C1CN(CCC1O[C@@H](C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCC(=O)O.C1=CC=C(C=C1)S(=O)(=O)O
• Molecular Weight: 547.06
• Reaxy-Rn: 23932060
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23932060&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Amino fatty acids Chlorobenzenes Pyridines and derivatives Piperidines Aryl chlorides Heteroaromatic compounds Trialkylamines Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
• Molecular Framework: Not available
• Substituents: Benzylether - Amino fatty acid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Fatty acyl - Pyridine - Piperidine - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• External Descriptors: organosulfonate salt

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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 109 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• Sensitivity: Heat, light sensitive
• Molecular Weight: 547.100 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 546.159 Da
• Monoisotopic Mass: 546.159 Da
• Topological Polar Surface Area: 125.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 632.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 2

XLogP3

References

1. Yao-Yao Su, Da-Wei Pan, Tao-Xian Zhang, Rui Xie, Xiao-Jie Ju, Zhuang Liu, Nan-Nan Deng, Wei Wang, Liang-Yin Chu.  (2025)  Wetting-induced interfacial instability: A mechanism for droplet emission at air-liquid interfaces.  Science Advances,  11  (12):   [PMID:40106569] [10.1126/sciadv.ads1065]