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Pizotifen Malate - ≥99%, high purity , CAS No.5189-11-7

COA

Grade & Purity:

≥99%

Cas Number: 5189-11-7
Molecular Weight: 429.53
PubChem CID: 168993

In stock

Item Number

P129438

Grouped product items
SKU	Size	Availability	Price
P129438-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
P129438-100mg	100mg	3	$48.90
P129438-500mg	500mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$220.90

Serotonin receptor antagonist

View related series

5-HT Receptor (264) Class A GPCR (4138) GPCR/G Protein (3172) Neuronal Signaling (3320)

Basic Description

Synonyms	D08397 \| HMS2093G20 \| Malic acid, compound with 4-(9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)-1-methylpiperidine (1:1) \| Mosegor \| UNII-99O99YVR4C \| BC-105 (malate);Pizotyline (malate) \| NSC 758899 \| Pizotifen hydrogen malate \| Pizotifen
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	Pizotifen malate, a derivative of benzocycloheptathiophene, is a tricyclic compound found to be a potent inhibitor of SR-2 receptor activity. In addition, it has been found to display vasoconstrictor activity in vivo. Studies on mice suggest that Pizotife
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
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.
Product Description	Pizotifen Malate is a benzocycloheptane based agent used for recurrent migraine headaches. An antagonist of muscarinic receptors.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Cycloheptathiophenes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Cycloheptathiophenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Cycloheptathiophenes
Alternative Parents	Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Alpha hydroxy acids and derivatives Benzenoids Piperidines Dicarboxylic acids and derivatives Fatty acids and conjugates Thiophenes Heteroaromatic compounds Secondary alcohols Trialkylamines Carboxylic acids Azacyclic compounds Organic oxides Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework	Not available
Substituents	Cycloheptathiophene - Beta-hydroxy acid - Short-chain hydroxy acid - Alpha-hydroxy acid - Dicarboxylic acid or derivatives - Hydroxy acid - Piperidine - Fatty acid - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as cycloheptathiophenes. These are polycyclic compounds containing a thiophene ring fused to a 7 member carbocyclic moiety. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom.
External Descriptors	malate salt
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)

ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

Discover Target: ALOX15B

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

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

Impa1 Inositol monophosphatase 1 (16203 Activities)

Discover Target: Impa1

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2-hydroxybutanedioic acid;1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine
INCHI	InChI=1S/C19H21NS.C4H6O5/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18;5-2(4(8)9)1-3(6)7/h2-5,10,13H,6-9,11-12H2,1H3;2,5H,1H2,(H,6,7)(H,8,9)
InChIKey	IWAWCPZVTXCFKD-UHFFFAOYSA-N
Smiles	CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1.C(C(C(=O)O)O)C(=O)O
Isomeric SMILES	CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1.C(C(C(=O)O)O)C(=O)O
Molecular Weight	429.53
Reaxy-Rn	6763530
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6763530&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
G2402421	Certificate of Analysis	Apr 12, 2024	P129438
F1510075	Certificate of Analysis	Jan 20, 2023	P129438

Chemical and Physical Properties

Solubility	Soluble in water (3 mg/ml), and DMSO (30 mg/ml).
Melt Point(°C)	365-366.8 °C
Molecular Weight	429.500 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	429.161 Da
Monoisotopic Mass	429.161 Da
Topological Polar Surface Area	126.000 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	535.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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