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CPCCOEt - ≥98%, high purity , CAS No.179067-99-3, Allosteric modulator of mGlu 1 receptor;Allosteric modulator of mGlu 5 receptor

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 179067-99-3
Molecular Weight: 247.25
PubChem CID: 6278000
PubChem SID: 488195692

In stock

Item Number

C274732

Grouped product items
SKU	Size	Availability	Price
C274732-5mg	5mg	3	$98.90
C274732-10mg	10mg	2	$137.90
C274732-25mg	25mg	1	$276.90
C274732-50mg	50mg	1	$444.90
C274732-100mg	100mg	1	$801.90

Selective, non-competitive mGlu 1 antagonist

View related series

Class C GPCR (248) GPCR/G Protein (3172) mGlu1 receptor Allosteric modulator (61) mGlu5 receptor Allosteric modulator (80) mGluR (176) Neuronal Signaling (3320)

Basic Description

Synonyms	(1aS,7aS,Z)-ethyl 7-(hydroxyimino)-1,1a,7,7a-tetrahydrocyclopropa[b]chromene-1a-carboxylate \| 7-Hydroxyiminocyclopropan[b]chromen-1α-carboxylic acid ethyl ester
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	Potent, selective non-competitive mGlu 1 metabotropic glutamate receptor antagonist (IC 50 = 6.5 μM at hmGluR1 with no activity at hmGluR2, -4a, -5a, -7b, and -8a up to 100 μM).
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	ALLOSTERIC MODULATOR
Mechanism of action	Allosteric modulator of mGlu 1 receptor;Allosteric modulator of mGlu 5 receptor
Note	Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description	Store at +4°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 1-benzopyrans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Not available
Direct Parent	1-benzopyrans
Alternative Parents	Alkyl aryl ethers Cyclopropanecarboxylic acids and derivatives Benzenoids Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1-benzopyran - Alkyl aryl ether - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Oxacycle - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
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 (2 Activities)

Discover Target: GRM1

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

GRM5 Tchem Metabotropic glutamate receptor 5 (1 Activities)

Discover Target: GRM5

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

GRM4 Tchem Metabotropic glutamate receptor 4 (2320 Activities)

Discover Target: GRM4

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

Associated Targets(non-human)

Grm2 Metabotropic glutamate receptor 2 (1326 Activities)

Discover Target: Grm2

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

Grm8 Metabotropic glutamate receptor 8 (169 Activities)

Discover Target: Grm8

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Grm7 Metabotropic glutamate receptor 7 (580 Activities)

Discover Target: Grm7

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Pubchem Sid	488195692
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488195692
IUPAC Name	ethyl (7E)-7-hydroxyimino-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate
INCHI	InChI=1S/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,16H,2,7H2,1H3/b14-11-
InChIKey	FXCTZFMSAHZQTR-KAMYIIQDSA-N
Smiles	CCOC(=O)C12CC1C(=NO)C3=CC=CC=C3O2
Isomeric SMILES	CCOC(=O)C12CC1/C(=N\O)/C3=CC=CC=C3O2
Molecular Weight	247.25
Reaxy-Rn	9200639
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9200639&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot Number	Certificate Type	Date	Item
C2329877	Certificate of Analysis	Mar 07, 2024	C274732
C2329873	Certificate of Analysis	Mar 07, 2024	C274732
C2329899	Certificate of Analysis	Mar 07, 2024	C274732
C2329894	Certificate of Analysis	Jan 15, 2024	C274732
C2329886	Certificate of Analysis	Jan 15, 2024	C274732
C2329887	Certificate of Analysis	Jan 12, 2024	C274732
C2329891	Certificate of Analysis	Jan 12, 2024	C274732
C2329889	Certificate of Analysis	Jan 12, 2024	C274732
C2329892	Certificate of Analysis	Jan 12, 2024	C274732
C2329893	Certificate of Analysis	Jan 12, 2024	C274732

Chemical and Physical Properties

Solubility	Soluble in DMSO to 100 mM and in ethanol to 5 mM
Molecular Weight	247.250 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	247.084 Da
Monoisotopic Mass	247.084 Da
Topological Polar Surface Area	68.100 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	394.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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