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6-(4-tert-butylphenyl)sulfonyl-7,8-dimethyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine , CAS No.T609446, Agonist of BB 3 receptor

COA

Grade & Purity:

Moligand™

PubChem CID: 56840673

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Item Number

T609446

Grouped product items
SKU	Size	Availability	Price	Qty
T609446-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$680.90
T609446-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,020.90

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BB3 receptor Agonist (19)

Basic Description

Synonyms	compound 8a
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	AGONIST
Mechanism of action	Agonist of BB 3 receptor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzodiazepines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzodiazepines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzodiazepines
Alternative Parents	Pyridodiazepines Benzenesulfonamides Benzenesulfonyl compounds Phenylpropanes 1,4-diazepines Pyridines and derivatives Imidolactams Organosulfonamides Heteroaromatic compounds Sulfonyls Secondary amines Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzodiazepine - Pyrido-para-diazepine - Benzenesulfonamide - Benzenesulfonyl group - Phenylpropane - Para-diazepine - Monocyclic benzene moiety - Pyridine - Organosulfonic acid amide - Benzenoid - Imidolactam - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Secondary amine - Azacycle - Alkyl fluoride - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alkyl halide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
External Descriptors	Not available
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)

BRS3 Tchem Bombesin receptor subtype-3 (6 Activities)

Discover Target: BRS3

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

BRS3 Tchem Bombesin receptor subtype-3 (700 Activities)

Discover Target: BRS3

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

NR1I2 Tchem Pregnane X receptor (6667 Activities)

Discover Target: NR1I2

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

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	6-(4-tert-butylphenyl)sulfonyl-7,8-dimethyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
INCHI	InChI=1S/C25H26F3N3O2S/c1-15-6-12-20-22(16(15)2)31(14-17-7-13-21(25(26,27)28)30-23(17)29-20)34(32,33)19-10-8-18(9-11-19)24(3,4)5/h6-13H,14H2,1-5H3,(H,29,30)
InChIKey	OAIVSBLLDFJYMS-UHFFFAOYSA-N
Smiles	Cc1c(C)ccc2c1N(Cc1c(N2)nc(cc1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(C)(C)C
Isomeric SMILES	CC1=C(C2=C(C=C1)NC3=C(CN2S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)C=CC(=N3)C(F)(F)F)C
PubChem CID	56840673

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