TROX-1 - Moligand™ , Gating inhibitor of Ca v2.2, CAS No.T614552, Gating inhibitor of Ca v2.2

CAS: T614552 Cat. No.: T614552 PubChem CID: 57466939

GRADE & PURITY Moligand™

Synonyms

TROX-1|GWS86V23Q8|UNII-GWS86V23Q8|2H-Indol-2-one, 5-(3-chloro-4-fluorophenyl)-1,3-dihydro-3-methyl-3-(5-pyrimidinylmethyl)-1-(1H-1,2,4-triazol-5-yl)-|1309601-26-0|GTPL7766|DTXSID601336589|AKOS040746426|(3R)-5-(3-Chloro-4-fluorophenyl)-1,3-dihydro-3-methyl

Storage

Room temperature

Specifications

동의어

TROX-1 | GWS86V23Q8 | UNII-GWS86V23Q8 | 2H-Indol-2-one, 5-(3-chloro-4-fluorophenyl)-1,3-dihydro-3-methyl-3-(5-pyrimidinylmethyl)-1-(1H-1,2,4-triazol-5-yl)- | 1309601-26-0 | GTPL7766 | DTXSID601336589 | AKOS040746426 | (3R)-5-(3-Chloro-4-fluorophenyl)-1,3-dihydro-3-methyl

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

작업 유형

GATING INHIBITOR

작동 메커니즘

Gating inhibitor of Ca v2.2

이름과 식별자

• 정식 스마일: O=C1N(c2n[nH]cn2)c2c([C@@]1(C)Cc1cncnc1)cc(cc2)c1ccc(c(c1)Cl)F
• IUPAC Name: (3R)-5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)indol-2-one
• InChIKey: OABSWPUPIHULMQ-JOCHJYFZSA-N
• INCHI: 1S/C22H16ClFN6O/c1-22(8-13-9-25-11-26-10-13)16-6-14(15-2-4-18(24)17(23)7-15)3-5-19(16)30(20(22)31)21-27-12-28-29-21/h2-7,9-12H,8H2,1H3,(H,27,28,29)/t22-/m1/s1
• 이성체 SMILES: C[C@]1(C2=C(C=CC(=C2)C3=CC(=C(C=C3)F)Cl)N(C1=O)C4=NC=NN4)CC5=CN=CN=C5
• PubChem CID: 57466939

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Indoles and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Indoles and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles and derivatives
• Alternative Parents: Fluorobenzenes Chlorobenzenes Pyrimidines and pyrimidine derivatives Aryl chlorides Aryl fluorides Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids and derivatives Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole or derivatives - Fluorobenzene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,4-triazole - Tertiary carboxylic acid amide - Azole - Amino acid or derivatives - Tertiary amine - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Amine - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole 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)

CACNA1B Tclin Voltage-dependent N-type calcium channel subunit alpha-1B (0 Activities)

Discover Target: CACNA1B

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

자주 묻는 질문

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 room temperature.

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

The CAS Number is T614552. InChIKey OABSWPUPIHULMQ-JOCHJYFZSA-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.