CP 154,526 - Moligand™ , Antagonist of CRF 1 receptor, CAS No.157286-86-7, Antagonist of CRF 1 receptor

CAS: 157286-86-7 Cat. No.: C609564 PubChem CID: 5311055

GRADE & PURITY Moligand™

Synonyms

AKOS032946677 | BDBM50058163 | PDSP2_001283 | CP154526 | CP-154526 | N-butyl-N-ethyl-7-mesityl-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine | BCP26372 | N-butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo(2,3-d)pyrimidin-4-amine | CP-154526;C

Storage

Room temperature

Specifications

Synonyms

AKOS032946677 | BDBM50058163 | PDSP2_001283 | CP154526 | CP-154526 | N-butyl-N-ethyl-7-mesityl-2, 5-dimethyl-7H-pyrrolo[2, 3-d]pyrimidin-4-amine | BCP26372 | N-butyl-N-ethyl-2, 5-dimethyl-7-(2, 4, 6-trimethylphenyl)pyrrolo(2, 3-d)pyrimidin-4-amine | CP-154526;C

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of CRF 1 receptor

Names and Identifiers

• Canonical Smiles: CCCCN(c1nc(C)nc2c1c(C)cn2c1c(C)cc(cc1C)C)CC
• IUPAC Name: N-butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[3,2-e]pyrimidin-4-amine
• InChIKey: FHQYJZCJRZHINA-UHFFFAOYSA-N
• INCHI: 1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3
• Isomeric SMILES: CCCCN(CC)C1=NC(=NC2=C1C(=CN2C3=C(C=C(C=C3C)C)C)C)C
• PubChem CID: 5311055

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrroles
• Alternative Parents: Pyrrolo[2,3-d]pyrimidines Dialkylarylamines Aminopyrimidines and derivatives Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-phenylpyrrole - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Dialkylarylamine - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Azacycle - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
• 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

Associated Targets(Human)

CRHR1 Tclin Corticotropin-releasing factor receptor 1 (14 Activities)

Discover Target: CRHR1

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

Chemical and Physical Properties

• Molecular Weight: 364.500 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 364.263 Da
• Monoisotopic Mass: 364.263 Da
• Topological Polar Surface Area: 34.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 457.000
• 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