Tiopinac (RS 40974) - Moligand™,≥99% , CAS No.61220-69-7

CAS: 61220-69-7 Cat. No.: T649666 Formula: C₁₆H₁₂O₃S Peso molecolare: 284.33 PubChem CID: 43585

GRADE & PURITY Moligand™, ≥99%

Synonyms

2-{2-oxo-9-thiatricyclo[9.4.0.0?,?]pentadeca-1(15),3,5,7,11,13-hexaen-6-yl}acetic acid | DTXSID80210140 | Tiopinacum | Q27252768 | RS 40974 | Tiopinac [USAN:INN:BAN] | Tiopinac (USAN/INN) | (5-Oxo-5,11-dihydro-10-thia-dibenzo[a,d]cyclohepten-8-yl)-acetic

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Tiopinac (RS 40974), a dibenzthiepin, is an active and highly potent anti-inflammatory and anti-pyretic agent.

Specifications

Sinonimi

2-{2-oxo-9-thiatricyclo[9.4.0.0?,?]pentadeca-1(15),3,5,7,11,13-hexaen-6-yl}acetic acid | DTXSID80210140 | Tiopinacum | Q27252768 | RS 40974 | Tiopinac [USAN:INN:BAN] | Tiopinac (USAN/INN) | (5-Oxo-5,11-dihydro-10-thia-dibenzo[a,d]cyclohepten-8-yl)-acetic

Specifiche e purezza

Moligand™,≥99%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Purezza

≥99%

Nomi e identificatori

• Sorrisi canonici: C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)CC(=O)O
• IUPAC Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetic acid
• InChIKey: KLIVRBFRQSOGQI-UHFFFAOYSA-N
• INCHI: 1S/C16H12O3S/c17-15(18)8-10-5-6-13-14(7-10)20-9-11-3-1-2-4-12(11)16(13)19/h1-7H,8-9H2,(H,17,18)
• Isomeri SMILES: C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)CC(=O)O
• CAS alternativo: 61220-69-7,77625-78-6 (hydrochloride salt)
• PubChem CID: 43585
• Termini MeSH: tiopinac;tiopinac sodium salt
• Peso molecolare: 284.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzothiepins
      • Subclass Dibenzothiepins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzothiepins
• Subclass: Dibenzothiepins
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzothiepins
• Alternative Parents: Aryl ketones Alkylarylthioethers Vinylogous thioesters Benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzothiepin - Aryl thioether - Aryl ketone - Alkylarylthioether - Benzenoid - Vinylogous thioester - Ketone - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dibenzothiepins. These are compounds containing a dibenzothiepin moiety, which consists of two benzene connected by a thiepine ring.
• External Descriptors: Not available

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

Obiettivi associati (umani)

AKR1B1 Tclin Aldose reductase (1 Activities)

Discover Target: AKR1B1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

AKR1B1 Tclin Aldose reductase (1404 Activities)

Discover Target: AKR1B1

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

Obiettivi associati (non umani)

Canis familiaris (36305 Activities)

Explore this target

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

Mus musculus (284745 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 284.300 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 284.051 Da
• Monoisotopic Mass: 284.051 Da
• Topological Polar Surface Area: 79.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 395.000
• 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: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 61220-69-7, the molecular formula is C16H12O3S, and the molecular weight is 284.33 g/mol. InChIKey KLIVRBFRQSOGQI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.