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5-(4-chlorophenyl)-13-[(prop-2-yn-1-yl)amino]-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one , CAS No.C608670, Allosteric modulator of mGlu 1 receptor

COA

Grade & Purity:

Moligand™

PubChem CID: 23634171

In stock

Item Number

C608670

Grouped product items
SKU	Size	Availability	Price	Qty
C608670-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
C608670-25mg	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	Pyrido(3',2':4,5)thieno(3,2-d)pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-9-(2-propynylamino)- \| RWS6U82B77 \| Pyrido(3',2':4,5)thieno(3,2-d)pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-9-(2-propyn-1-ylamino)- \| 3-(4-Chloro-phenyl)-9-prop-2-ynylamino-3H-pyrido[3'',
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 Thienopyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thienopyrimidines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thienopyrimidines
Alternative Parents	Thienopyridines Secondary alkylarylamines Pyrimidones Chlorobenzenes Aminopyridines and derivatives Aryl chlorides Thiophenes Heteroaromatic compounds Lactams Azacyclic compounds Acetylides Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Thienopyridine - Thienopyrimidine - Aminopyridine - Chlorobenzene - Halobenzene - Pyrimidone - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Lactam - Acetylide - Secondary amine - Azacycle - Organic oxide - Organic nitrogen compound - Amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

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

GRM5 Tchem Metabotropic glutamate receptor 5 (5733 Activities)

Discover Target: GRM5

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

Caco-2 (12174 Activities)

Explore this target

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

Associated Targets(non-human)

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	5-(4-chlorophenyl)-13-[(prop-2-yn-1-yl)amino]-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,9,11-pentaen-6-one
INCHI	InChI=1S/C18H11ClN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h1,3-7,9-10H,8H2,(H,20,21)
InChIKey	MAYHTEHJUHRFSA-UHFFFAOYSA-N
Smiles	C#CCNc1ccnc2c1c1ncn(c(=O)c1s2)c1ccc(cc1)Cl
Isomeric SMILES	C#CCNC1=C2C3=C(C(=O)N(C=N3)C4=CC=C(C=C4)Cl)SC2=NC=C1
PubChem CID	23634171

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