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13-(cyclopropylamino)-5-(4-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one , CAS No.C608678, Allosteric modulator of mGlu 1 receptor

COA

Grade & Purity:

Moligand™

PubChem CID: 16118537

In stock

Item Number

C608678

Grouped product items
SKU	Size	Availability	Price	Qty
C608678-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
C608678-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

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mGlu1 receptor Allosteric modulator (61)

Basic Description

Synonyms	compound 12e
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	ALLOSTERIC MODULATOR
Mechanism of action	Allosteric modulator of mGlu 1 receptor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thienopyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thienopyridines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thienopyridines
Alternative Parents	Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Secondary alkylarylamines Pyridinones Aminopyridines and derivatives Alkyl aryl ethers Thiophenes Heteroaromatic compounds Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Thienopyridine - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyridine - Pyridinone - Secondary aliphatic/aromatic amine - Benzenoid - Pyridine - Monocyclic benzene moiety - Thiophene - Heteroaromatic compound - Lactam - Azacycle - Secondary amine - Ether - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
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)

GRM1 Tchem Metabotropic glutamate receptor 1 (3 Activities)

Discover Target: GRM1

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

GRM1 Tchem Metabotropic glutamate receptor 1 (2309 Activities)

Discover Target: GRM1

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	13-(cyclopropylamino)-5-(4-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one
INCHI	InChI=1S/C20H17N3O2S/c1-25-14-6-4-13(5-7-14)23-11-9-15-17-16(22-12-2-3-12)8-10-21-19(17)26-18(15)20(23)24/h4-12H,2-3H2,1H3,(H,21,22)
InChIKey	ZUUBRGCTXRXCLV-UHFFFAOYSA-N
Smiles	COc1ccc(cc1)n1ccc2c(c1=O)sc1c2c(ccn1)NC1CC1
Isomeric SMILES	COC1=CC=C(C=C1)N2C=CC3=C(C2=O)SC4=NC=CC(=C34)NC5CC5
PubChem CID	16118537

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