Tocrifluor T1117 - Moligand™, ≥95%(HPLC) , Agonist of GPR55, CAS No.1186195-59-4, Agonist of GPR55

CAS: 1186195-59-4 Cat. No.: T287844 분자식: C₅₆H₅₃Cl₂N₇O₅ 분자량: 974.97 PubChem CID: 57369426

GRADE & PURITY Moligand™, ≥95%(HPLC)

Synonyms

5-(4'-(3-(3',6'-Bis(dimethylamino)-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxamido)propyl)-[1,1'-biphenyl]-4-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide | Q27088910 | AKOS024457156 | 1186195-59-4 | Tocrifluor

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

5-(4'-(3-(3',6'-Bis(dimethylamino)-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxamido)propyl)-[1,1'-biphenyl]-4-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide | Q27088910 | AKOS024457156 | 1186195-59-4 | Tocrifluor

사양 및 순도

Moligand™, ≥95%(HPLC)

생화학 및 생리적 메커니즘

Fluorescent form ofAM 251. AM 251 conjugated with 5-carboxytetramethylrhodamine (5-TAMRA) that fluoresces at 543 nm excitation (590 nm emission). Displays GPR55 binding activity.View more information regardingTocrifluor T1117.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

AGONIST

작동 메커니즘

Agonist of GPR55

순수함

≥95%(HPLC)

이름과 식별자

정식 스마일

CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)C5=CC=C(C=C5)CCCNC(=O)C6=CC7=C(C=C6)C8(C9=C(C=C(C=C9)N(C)C)OC1=C8C=CC(=C1)N(C)C)OC7=O

IUPAC Name

5-[4-[4-[3-[[3',6'-bis(dimethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl]amino]propyl]phenyl]phenyl]-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

InChIKey

RNAPRXIZPJDYPH-UHFFFAOYSA-N

INCHI

1S/C56H53Cl2N7O5/c1-34-51(54(67)61-64-28-7-6-8-29-64)60-65(48-26-20-40(57)31-47(48)58)52(34)38-17-15-37(16-18-38)36-13-11-35(12-14-36)10-9-27-59-53(66)39-19-23-44-43(30-39)55(68)70-56(44)45-24-21-41(62(2)3)32-49(45)69-50-33-42(63(4)5)22-25-46(50)56/h11-26,30-33H,6-10,27-29H2,1-5H3,(H,59,66)(H,61,67)

이성체 SMILES

CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)C5=CC=C(C=C5)CCCNC(=O)C6=CC7=C(C=C6)C8(C9=C(C=C(C=C9)N(C)C)OC1=C8C=CC(=C1)N(C)C)OC7=O

대체 CAS

1186195-59-4

PubChem CID

57369426

분자량

974.97

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: Biphenyls and derivatives Diarylethers Phenylpyrazoles Phthalides Benzofuranones Isobenzofurans Dialkylarylamines Dichlorobenzenes Pyrazole-5-carboxamides Piperidines Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Carboxylic acid hydrazides Secondary carboxylic acid amides Lactones Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Biphenyl - Diaryl ether - Phenylpyrazole - Phthalide - Isobenzofuranone - Benzofuranone - Isocoumaran - Isobenzofuran - Pyrazole-5-carboxamide - Dialkylarylamine - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Piperidine - Aryl halide - Pyrazole - Heteroaromatic compound - Azole - Carboxylic acid ester - Carboxylic acid hydrazide - Lactone - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran 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

관련 대상(인간)

GPR55 Tclin G-protein coupled receptor 55 (0 Activities)

Discover Target: GPR55

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

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 9.75, Max Conc. mM: 10
• 분자량: 975.000 g/mol
• XLogP3: 11.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 973.349 Da
• Monoisotopic Mass: 973.349 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 70
• Formal Charge: 0
• Complexity: 1760.000
• 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

자주 묻는 질문

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by HPLC. 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 1186195-59-4, the molecular formula is C56H53Cl2N7O5, and the molecular weight is 974.97 g/mol. InChIKey RNAPRXIZPJDYPH-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.