N-butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine hydrochloride

• ChemBase ID: 154702
• Molecular Formular: C23H33ClN4
• Molecular Mass: 400.98792
• Monoisotopic Mass: 400.23937476
• SMILES: CCCCN(CC)c1c2c(cn(c2nc(n1)C)c1c(cc(cc1C)C)C)C.Cl
• Canonical SMILES: CCCCN(c1nc(C)nc2c1c(C)cn2c1c(C)cc(cc1C)C)CC.Cl
• InChI: InChI=1S/C23H32N4.ClH/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;1H
• InChIKey: ZWDLBNCJWNENFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine hydrochloride
• IUPAC Traditional name: N-butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine hydrochloride
• Synonyms: N-Butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine monohydrochloride; CP-154526 hydrochloride; N-Butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine Hydrochloride; CP 154526 Hydrochloride; CP-154526 Hydrochloride

Database IDs

• CAS Number: 257639-98-8
• MDL Number: MFCD07364047
• PubChem SID: 162248840
• PubChem CID: 11475094

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.851673
• LogD (pH = 7.4): 7.249599
• Log P: 7.258
• Molar Refractivity: 126.9085 cm^3
• Polarizability: 44.427616 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: DMSO; DMSO: >20 mg/mL; Methanol
• Apperance: Pale Yellow Solid; white to off-white powder
• Melting Point: 167-169°C

Safety Information

• Storage Condition: Refrigerator
• German water hazard class: nwg
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C23H32N4 · HCl

DETAILS

Sigma Aldrich - PZ0100

Biochem/physiol Actions
CP-154526 is a selective, non-peptide antagonist of corticotropin releasing factor receptors (CRF1).
Legal Information
Sold for research purposes under agreement from Pfizer Inc.

Toronto Research Chemicals - C781295

A selective, non-peptide antagonist of corticotropin releasing factor receptors (CRF1). It blocks CRF-induced adenylate cyclase activation and attenuates activation of the HPA axis by CRF. It displayed anxiolytic-like activity in the rat elevated plus-maz

REFERENCES

• Lundkist, J. et al.: Eur. J. Pharmacol., 309, 195 (1996)
• Arbolius, L. et al.: J. pharmacol. Exp. Therap., 294, 588 (1996)
• Kehne, J.H. et al.: Neuropharmacol., 39, 1357 (1996)