Ziprasidone Hydrochloride Monohydrate - Moligand™, ≥98%(HPLC) , Serotonin 2c (5-HT2c) receptor antagonist, CAS No.138982-67-9, Serotonin 2c (5-HT2c) receptor antagonist

CAS: 138982-67-9 Cat. No.: Z132382 Molecular Weight: 467.41 PubChem CID: 60853

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

CP 88059 | LP01025 | CHEBI:32314 | ZIPRASIDONE HYDROCHLORIDE HYDRATE | 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride | AS-16359 | Ziprasidone hydrochloride monohydrate | ZIPRASIDONE HYDROCHLORID

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

Ziprasidone(CP88059) is a combined 5-HT (serotonin) and dopamine receptor antagonist which exhibits potent effects of antipsychotic activity.

Application：

Ziprasidone hydrochloride USP Reference standard, intended for use in specified quality tests and assays as specified in the USP compendia. Also, for use with USP monograph such as Ziprasidone Capsules

Specifications

Synonyms

CP 88059 | LP01025 | CHEBI:32314 | ZIPRASIDONE HYDROCHLORIDE HYDRATE | 5-[2-[4-(1, 2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1, 3-dihydroindol-2-one;hydrate;hydrochloride | AS-16359 | Ziprasidone hydrochloride monohydrate | ZIPRASIDONE HYDROCHLORID

Specifications & Purity

Moligand™, ≥98%(HPLC)

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Serotonin 2c (5-HT2c) receptor antagonist

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488183408
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183408
• Canonical Smiles: C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.O.Cl
• IUPAC Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride
• InChIKey: ZCBZSCBNOOIHFP-UHFFFAOYSA-N
• INCHI: 1S/C21H21ClN4OS.ClH.H2O/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21;;/h1-4,11,13H,5-10,12H2,(H,23,27);1H;1H2
• Isomeric SMILES: C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.O.Cl
• WGK Germany: 3
• PubChem CID: 60853
• Molecular Weight: 467.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Phenethylamines Benzothiazoles Indoles Dialkylarylamines Aralkylamines N-alkylpiperazines Aminothiazoles Aryl chlorides Imidolactams Cyclic carboximidic acids Heteroaromatic compounds Trialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives Organochlorides Organooxygen compounds Organopnictogen compounds Hydrochlorides Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - 1,2-benzothiazole - Indole - Indole or derivatives - Phenethylamine - Dialkylarylamine - Aralkylamine - N-alkylpiperazine - 1,2-thiazolamine - Aryl chloride - Imidolactam - Aryl halide - Benzenoid - Heteroaromatic compound - Cyclic carboximidic acid - Azole - Thiazole - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Amine - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
• External Descriptors: hydrate - hydrochloride

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)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

DRD1 Tclin Dopamine D1 receptor (9720 Activities)

Discover Target: DRD1

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

MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)

Discover Target: MTOR

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SH-SY5Y (11521 Activities)

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HEK293 (82097 Activities)

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

Discover Target: RAB9A

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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

HSPA5 Tchem 78 kDa glucose-regulated protein (3319 Activities)

Discover Target: HSPA5

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

ATXN2 Tbio Ataxin-2 (54410 Activities)

Discover Target: ATXN2

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

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

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

RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

Discover Target: RGS4

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Associated Targets(non-human)

Saccharomyces cerevisiae (19171 Activities)

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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: insoluble in H2O； insoluble in EtOH；≥11.69 mg/mL in DMSO
• Sensitivity: light sensitive;Moisture sensitive
• Molecular Weight: 467.400 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 466.1 Da
• Monoisotopic Mass: 466.1 Da
• Topological Polar Surface Area: 77.700 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 573.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 3

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