Clemastine Fumarate - ≥98%(HPLC) , Histamine H1 receptor antagonist, CAS No.14976-57-9, Histamine H1 receptor antagonist

CAS: 14976-57-9 Cat. No.: C129211 Molecular Weight: 459.96 EC Number: 239-055-2 PubChem CID: 5281069

GRADE & PURITY ≥98%(HPLC)

Synonyms

(R-(R*,R*))-2-(2-(1-(p-Chlorophenyl)-1-phenylethoxy)ethyl)-1-methylpyrrolidinium hydrogen fumarate | NCGC00180903-01 | Tox21_110574 | 19259EGQ3D | AKOS037643271 | CLEMASTINE FUMARATE [VANDF] | CLEMASTINE FUMARATE COMPONENT OF TAVIST-D | HMS500O07 | Tavegi

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Clemastine Fumarate (Clemastine) is a selective histamine H1 receptor antagonist with IC50 of 3 nM.
A selective histamine H1 antagonist

Application：

Clemastine fumarate salt has been used as a stimulator of rodent oligodendrocyte generation and myelination in vitro and in vivo.

Specifications

Synonyms

(R-(R*, R*))-2-(2-(1-(p-Chlorophenyl)-1-phenylethoxy)ethyl)-1-methylpyrrolidinium hydrogen fumarate | NCGC00180903-01 | Tox21_110574 | 19259EGQ3D | AKOS037643271 | CLEMASTINE FUMARATE [VANDF] | CLEMASTINE FUMARATE COMPONENT OF TAVIST-D | HMS500O07 | Tavegi

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Clemastine fumarate is a selective histamine H1 Receptor antagonist with IC50 of 3 nM. Clemastine Fumarate inhibits histamine induced rise in [Ca2+]i in HL-60 cells with an IC50 of 3 nM. Clemastine Fumarate significantly potentiates ATP-induced increase i

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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%(HPLC)

Names and Identifiers

• Pubchem Sid: 488195227
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195227
• Canonical Smiles: CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCC3CCCN3C.C(=CC(=O)O)C(=O)O
• IUPAC Name: (E)-but-2-enedioic acid;(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine
• InChIKey: PMGQWSIVQFOFOQ-YKVZVUFRSA-N
• INCHI: 1S/C21H26ClNO.C4H4O4/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2;5-3(6)1-2-4(7)8/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t20-,21-;/m1./s1
• Isomeric SMILES: C[C@@](C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCC[C@H]3CCCN3C.C(=C/C(=O)O)\C(=O)O
• WGK Germany: 3
• RTECS: UY0704600
• PubChem CID: 5281069
• Molecular Weight: 459.96

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Benzylethers Chlorobenzenes Unsaturated fatty acids N-alkylpyrrolidines Dicarboxylic acids and derivatives Aryl chlorides Trialkylamines Dialkyl ethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Diphenylmethane - Benzylether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Unsaturated fatty acid - N-alkylpyrrolidine - Fatty acid - Fatty acyl - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Dialkyl ether - Ether - Hydrocarbon derivative - Organopnictogen compound - Amine - Organic oxide - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: fumarate 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(Human)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)

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GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

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CSNK1D Tchem Casein kinase I delta (4546 Activities)

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S1PR1 Tclin Sphingosine 1-phosphate receptor Edg-1 (5806 Activities)

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CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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C5AR1 Tclin C5a anaphylatoxin chemotactic receptor (2677 Activities)

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AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

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Huh-7 (12904 Activities)

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U2OS (164939 Activities)

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HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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CX3CR1 Tchem C-X3-C chemokine receptor 1 (1686 Activities)

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FPR2 Tchem Lipoxin A4 receptor (3472 Activities)

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FFAR4 Tchem G-protein coupled receptor 120 (2999 Activities)

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HNF4A Tchem Hepatocyte nuclear factor 4-alpha (301 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

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GPR35 Tchem G-protein coupled receptor 35 (2643 Activities)

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GMNN Tbio Geminin (128009 Activities)

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PLIN1 Tbio Perilipin-1 (234 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

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BRPF1 Tchem Peregrin (2217 Activities)

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HEK-293T (167025 Activities)

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ADGRF1 Tbio Adhesion G-protein coupled receptor F1 (1591 Activities)

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Associated Targets(non-human)

Aplnr Apelin receptor (201 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

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Plasmodium falciparum (966862 Activities)

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Plasmodium berghei (192651 Activities)

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Vesicular stomatitis virus (4460 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Gpr119 Glucose-dependent insulinotropic receptor (270 Activities)

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Middle East respiratory syndrome-related coronavirus (220 Activities)

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SARS-CoV-2 (38078 Activities)

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SARS-CoV (424 Activities)

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Vero C1008 (1716 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (5 mM), methanol, DMSO (35 mg/ml), ethanol (3 mg/ml), and alcohol (slightly).
• Sensitivity: Moisture sensitive；Air sensitive
• Melt Point(°C): 177-178°C
• Molecular Weight: 460.000 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 459.181 Da
• Monoisotopic Mass: 459.181 Da
• Topological Polar Surface Area: 87.100 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 495.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Yaojun Ju, Yichen Yan, Xinhui Wang, Shan Li, Jialei Wang, Zixiao Wang, Yuling Dong, Junping Wang.  (2025)  Acer truncatum Bunge seeds oil ameliorated cuprizone induced cognitive decline and brain white matter impairment by improving sphingomyelin metabolism and neuroinflammation via activation of TREM2 signaling pathway.  Food & Function,      [PMID:41284332] [10.1039/D5FO03220B]