Verucerfont - ≥99% , Corticotropin releasing factor receptor 1 antagonist, CAS No.885220-61-1, Corticotropin releasing factor receptor 1 antagonist

CAS: 885220-61-1 Cat. No.: V647108 分子式: C₂₂H₂₆N₆O₂ 分子量: 406.48 EC番号: 629-872-6 PubChem CID: 11596613

GRADE & PURITY ≥99%

Synonyms

GSK561679 | 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine | NBI77860

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Verucerfont is a corticotropin-releasing factor receptor 1 ( CRF1 ) antagonist with IC 50 s of ~6.1, >1000 and >1000 nM for CRF1, CRF2, and CRF-BP, respectively.

In Vivo

Post hoc analysis shows that the prototypic non-peptide CRF1 receptor antagonist NBI30775 (R121919) and Verucerfont are both significantly different from vehicle, CP-316 311, and pexacerfont (P<0.001 for all comparisons collapse across time-points); the latter three treatments in turn do not differ from each other. A differential effect of treatments over time is also shown by a significant treatment×time interaction (F[20,140]=6.4, P<0.001). Accordingly, detailed Post hoc analysis shows that both NBI30775 and Verucerfont inhibit ACTH release throughout the following 6 h of measurement (P<0.001 vs vehicle at each time-point, and vs the respective pretreatment baseline) . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 6.1 nM (CRF1), >1000 nM (CRF2), >1000 nM (CRF-BP)

Specifications

同義語

GSK561679 | 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine | NBI77860

仕様と純度

≥99%

生化学的・生理学的メカニズム

Verucerfont is a corticotropin-releasing factor receptor 1 ( CRF1 ) antagonist with IC 50 s of ~6.1, >1000 and >1000u2009nM for CRF1, CRF2, and CRF-BP, respectively.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

ANTAGONIST

作用メカニズム

Corticotropin releasing factor receptor 1 antagonist

純度

≥99%

製品の性質

• ALogP: 4.5

名前と識別子

• パブケム・シド: 528767695
• カノニカル・スマイル: CC[C@@H](C1=NC(=NO1)C)NC2=CC(=NC3=C(C(=NN23)C)C4=C(C=C(C=C4)OC)C)C
• IUPAC Name: 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
• InChIKey: VKHVAUKFLBBZFJ-SFHVURJKSA-N
• INCHI: 1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m0/s1
• 異性体SMILES: CC[C@@H](C1=NC(=NO1)C)NC2=CC(=NC3=C(C(=NN23)C)C4=C(C=C(C=C4)OC)C)C
• PubChem CID: 11596613
• 分子量: 406.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Pyrazolo[1,5-a]pyrimidines Phenoxy compounds Methoxybenzenes Anisoles Toluenes Aminopyrimidines and derivatives Alkyl aryl ethers Heteroaromatic compounds 1,2,4-oxadiazoles Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpyrazole - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Toluene - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Oxadiazole - 1,2,4-oxadiazole - Oxacycle - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• External Descriptors: Not available

Data sources

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

関連ターゲット（人間）

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

Liver microsomes (16955 Activities)

Explore this target

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

関連ターゲット（非人間）

Rattus norvegicus (775804 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO : 83.33 mg/mL (205.00 mM; Need ultrasonic)
• 分子量: 406.500 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 406.212 Da
• Monoisotopic Mass: 406.212 Da
• Topological Polar Surface Area: 90.400 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 568.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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