CP 376395 hydrochloride - ≥99%(HPLC) , CAS No.1013933-37-3

CAS: 1013933-37-3 Cat. No.: C287406 Molecular Weight: 362.94

GRADE & PURITY ≥99%(HPLC)

Synonyms

N-(1-Ethylpropyl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)-4-pyridinamine hydrochloride | CP 376395 HYDROCHLORIDE | 3,6-dimethyl-N-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine;hydrochloride | BCP28958 | CP376395 hydrochloride | CP-376395 hydrochlo

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

N-(1-Ethylpropyl)-3, 6-dimethyl-2-(2, 4, 6-trimethylphenoxy)-4-pyridinamine hydrochloride | CP 376395 HYDROCHLORIDE | 3, 6-dimethyl-N-pentan-3-yl-2-(2, 4, 6-trimethylphenoxy)pyridin-4-amine;hydrochloride | BCP28958 | CP376395 hydrochloride | CP-376395 hydrochlo

Specifications & Purity

≥99%(HPLC)

Biochemical and Physiological Mechanisms

Potent and selective CRF1receptor antagonist (Kivalues are 12 and >10000 nM for CRF1and CRF2receptors respectively). Binds at an allosteric site. Attenuates CRF-induced activation of the HPA axisin vivofollowing i.v. administration. Orally active.

Storage

Room temperature, Desiccated

Shipped In

Normal

Action Type

ANTAGONIST

Purity

≥99%(HPLC)

Names and Identifiers

• Canonical Smiles: CCC(CC)NC1=C(C(=NC(=C1)C)OC2=C(C=C(C=C2C)C)C)C.Cl
• IUPAC Name: 3,6-dimethyl-N-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine;hydrochloride
• InChIKey: UDIOZDHQQNYISB-UHFFFAOYSA-N
• INCHI: 1S/C21H30N2O.ClH/c1-8-18(9-2)23-19-12-16(6)22-21(17(19)7)24-20-14(4)10-13(3)11-15(20)5;/h10-12,18H,8-9H2,1-7H3,(H,22,23);1H
• Isomeric SMILES: CCC(CC)NC1=C(C(=NC(=C1)C)OC2=C(C=C(C=C2C)C)C)C.Cl
• Molecular Weight: 362.94
• Reaxy-Rn: 15848910
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15848910&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Phenoxy compounds Phenol ethers Secondary alkylarylamines Methylpyridines Aminopyridines and derivatives Heteroaromatic compounds Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diaryl ether - Phenoxy compound - Phenol ether - Aminopyridine - Methylpyridine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Secondary amine - Organonitrogen compound - Amine - Hydrocarbon derivative - Hydrochloride - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• 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

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 18.15, Max Conc. mM: 50; Solvent:DMSO, Max Conc. mg/mL: 36.29, Max Conc. mM: 100
• Molecular Weight: 362.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 362.212 Da
• Monoisotopic Mass: 362.212 Da
• Topological Polar Surface Area: 34.200 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 359.000
• 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: 2

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