TC-I 2014 - ≥98%(HPLC) , CAS No.1221349-53-6

CAS: 1221349-53-6 Cat. No.: T288467 Summenformel: C23H19F6N3O Molekulargewicht: 467.41 PubChem CID: 135883253
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GRADE & PURITY ≥98%(HPLC)
Synonyms
3-[7-(Trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-1-oxa-2-azaspiro[4.5]dec-2-ene
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
Deutschland (EU)
USA*
Price
Qty
1mg
T288467-1mg
—
6 Auf Lager
173,46€
5mg
T288467-5mg
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5 Auf Lager
485,85€
10mg
T288467-10mg
—
4 Auf Lager
728,81€
25mg
T288467-25mg
—
3 Auf Lager
1.247,72€
50mg
T288467-50mg
—
3 Auf Lager
2.189,22€
Enter a quantity for the sizes you want to add.
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Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Übersicht

Product description

TC-I 2014 (compound 5) is a potent and orally active Benzimidazole-containing transient receptor potential melastatin 8 (TRPM8) antagonist, with IC50 values of 0.8 nM, 3.0 nM and 4.4 nM for canine, human and rat channels respectively. TC-I 2014 exhibits antiallodynic properties in pain models.


Specifications

Synonyme
3-[7-(Trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-1-oxa-2-azaspiro[4.5]dec-2-ene
Spezifikationen & Reinheit
≥98%(HPLC)
Biochemische und physiologische Mechanismen
Potent TRPM8 antagonist (IC50values are 0.8, 3.0 and 4.4 nM for canine, human and rat channels respectively). Exhibits antiallodynic properties in pain modelsin vivo.
Storage
Store at -20°C
Verschickt in
Ice chest + Ice pads
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Reinheit
≥98%(HPLC)
Namen und Kennungen
Pubchem Sid488203007
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488203007
Kanonisches LächelnC1CCC2(CC1)CC(=NO2)C3=NC4=C(C=C(C=C4N3)C5=CC=CC=C5C(F)(F)F)C(F)(F)F
IUPAC Name3-[4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-1-oxa-2-azaspiro[4.5]dec-2-ene
InChIKeyVSMFCZZEKTVDHM-UHFFFAOYSA-N
INCHI1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)
Isomere SMILES C1CCC2(CC1)CC(=NO2)C3=NC4=C(C=C(C=C4N3)C5=CC=CC=C5C(F)(F)F)C(F)(F)F
PubChem CID 135883253
Molekulargewicht 467.41

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
KlasseBenzene and substituted derivatives
SubclassTrifluoromethylbenzenes
Intermediate Tree Nodes Not available
Direct ParentTrifluoromethylbenzenes
Alternative Parents Benzimidazoles  Isoxazolines  Imidazoles  Heteroaromatic compounds  Oxacyclic compounds  Azacyclic compounds  Organooxygen compounds  Organonitrogen compounds  Organofluorides  Hydrocarbon derivatives  Alkyl fluorides  Organic anions  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Trifluoromethylbenzene - Benzimidazole - Azole - Imidazole - Isoxazoline - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Organic nitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxygen compound - Organic anion - Aromatic heteropolycyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
TRPM8 Tclin Transient receptor potential cation channel subfamily M member 8 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsomes (16955 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK-293T (167025 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cavia porcellus (23802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rhesus monkey (3147 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trpm8 Transient receptor potential cation channel subfamily M member 8 (889 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Brain (1 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TRPM8 Transient receptor potential M8 protein (1039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
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.

10 results found

Lot NumberCertificate TypeDatumArtikel
D2325814Certificate of AnalysisFeb 05, 2026 T288467
D2325787Certificate of AnalysisMar 25, 2023 T288467
D2325788Certificate of AnalysisMar 25, 2023 T288467
D2325812Certificate of AnalysisMar 25, 2023 T288467
D2325813Certificate of AnalysisMar 25, 2023 T288467
D2325818Certificate of AnalysisMar 25, 2023 T288467
D2325821Certificate of AnalysisMar 25, 2023 T288467
D2325845Certificate of AnalysisMar 25, 2023 T288467
D2325863Certificate of AnalysisMar 25, 2023 T288467
D2325868Certificate of AnalysisMar 25, 2023 T288467
Chemische und physikalische Eigenschaften
LöslichkeitSolvent:DMSO, Max Conc. mg/mL: 46.74, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 46.74, Max Conc. mM: 100
Molekulargewicht467.400 g/mol
XLogP36.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass467.143 Da
Monoisotopic Mass467.143 Da
Topological Polar Surface Area50.300 Ų
Heavy Atom Count33
Formal Charge0
Complexity747.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
Bewertungen

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Häufig gestellte Fragen

What are the CAS number, molecular formula and molecular weight?
The CAS Number is 1221349-53-6, the molecular formula is C??H??F?N?O, and the molecular weight is 467.41 g/mol. InChIKey VSMFCZZEKTVDHM-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.
What is the purity of this product, and how is it determined?
This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.
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.

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