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Emicerfont - 98%, high purity , Corticotropin releasing factor receptor 1 antagonist, CAS No.786701-13-1, Corticotropin releasing factor receptor 1 antagonist

COA

Grade & Purity:

≥98%

Cas Number: 786701-13-1
Molecular Weight: 404.46
PubChem CID: 11223423

In stock

Item Number

E650075

Grouped product items
SKU	Size	Availability	Price
E650075-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$200.90
E650075-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$620.90
E650075-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$980.90

View related series

Class B GPCR (170) CRFR (23) GPCR/G Protein (3172)

Basic Description

Synonyms	OJ8EG4264P \| A14047 \| 1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one \| AKOS000266880 \| SCHEMBL2189548 \| AKOS040741694 \| EMICERFONT [INN] \| 1-(1-(1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-d
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	Emicerfont is a corticotropin-releasing factor type 1 ( CRF 1 ) receptor antagonist with an IC 50 of 66 nM.
Storage Temp	Store at 2-8°C,Protected from light,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Action Type	ANTAGONIST
Mechanism of action	Corticotropin releasing factor receptor 1 antagonist
Product Description	Emicerfont is a corticotropin-releasing factor type 1 ( CRF 1 ) receptor antagonist with an IC 50 of 66 nM. In Vitro Emicerfont is a corticotropin-releasing factor type 1 (CRF 1 ) receptor antagonist with an IC 50 of 66 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo At concentration of 10 mg/kg, Emicerfont reduces i.c.v. CRF-induced gerbil forepaw treading and marmoset defensive postures. Emicerfont also reduces rat pup ultrasonic vocalization at concentration of 30 mg/kg . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:IC50: 66 nM (CRF 1 receptor)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Tertiary amines
        Level6 Tertiary alkylarylamines
        Level7 Alkyldiarylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Tertiary amines - Tertiary alkylarylamines
Direct Parent	Alkyldiarylamines
Alternative Parents	Methoxyanilines Pyrrolopyridines Anisoles Methoxybenzenes Phenoxy compounds Methylpyridines Alkyl aryl ethers Toluenes Imidolactams Imidazolidinones Heteroaromatic compounds Pyrazoles Ureas Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Alkyldiarylamine - Methoxyaniline - Pyrrolopyridine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Methylpyridine - Toluene - Monocyclic benzene moiety - Imidazolidinone - Pyridine - Imidolactam - Benzenoid - Azole - Imidazolidine - Heteroaromatic compound - Pyrazole - Urea - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino group.
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

Product Properties

ALogP	2.9

Associated Targets(Human)

CRHR1 Tclin Corticotropin-releasing factor receptor 1 (2 Activities)

Discover Target: CRHR1

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

CRHR1 Tclin Corticotropin releasing factor receptor 1 (2996 Activities)

Discover Target: CRHR1

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

CRHR2 Tchem Corticotropin releasing factor receptor 2 (399 Activities)

Discover Target: CRHR2

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

Associated Targets(non-human)

Meriones unguiculatus (417 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	1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
INCHI	InChI=1S/C22H24N6O2/c1-14-12-16(30-3)4-5-18(14)26-9-6-17-19(13-15(2)24-21(17)26)28-10-7-20(25-28)27-11-8-23-22(27)29/h4-5,7,10,12-13H,6,8-9,11H2,1-3H3,(H,23,29)
InChIKey	JFHJGXQFESYQGY-UHFFFAOYSA-N
Smiles	CC1=CC(=C2CCN(C2=N1)C3=C(C=C(C=C3)OC)C)N4C=CC(=N4)N5CCNC5=O
Isomeric SMILES	CC1=CC(=C2CCN(C2=N1)C3=C(C=C(C=C3)OC)C)N4C=CC(=N4)N5CCNC5=O
Alternate CAS	786701-13-1
PubChem CID	11223423
MeSH Entry Terms	GW 876008;GW-876008;GW876008
Molecular Weight	404.46

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	DCM : ≥ 16.67 mg/mL (41.22 mM)
Molecular Weight	404.500 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	404.196 Da
Monoisotopic Mass	404.196 Da
Topological Polar Surface Area	75.500 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	635.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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