2-Methyl-N-[[2'-(1-pyrrolidinylsulfonyl)-4-biphenylyl]methyl]-1-propanamine Hydrochloride - CAS 1322001-35-3
Catalog: |
BB007555 |
Product Name: |
2-Methyl-N-[[2'-(1-pyrrolidinylsulfonyl)-4-biphenylyl]methyl]-1-propanamine Hydrochloride |
CAS: |
1322001-35-3 |
Synonyms: |
2-methyl-N-[[4-[2-(1-pyrrolidinylsulfonyl)phenyl]phenyl]methyl]-1-propanamine;hydrochloride; 2-methyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine;hydrochloride |
IUPAC Name: | 2-methyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine;hydrochloride |
Description: | 2-Methyl-N-[[2'-(1-pyrrolidinylsulfonyl)-4-biphenylyl]methyl]-1-propanamine Hydrochloride (CAS# 1322001-35-3 ) is a useful research chemical. |
Molecular Weight: | 408.99 |
Molecular Formula: | C21H29ClN2O2S |
Canonical SMILES: | CC(C)CNCC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N3CCCC3.Cl |
InChI: | InChI=1S/C21H28N2O2S.ClH/c1-17(2)15-22-16-18-9-11-19(12-10-18)20-7-3-4-8-21(20)26(24,25)23-13-5-6-14-23;/h3-4,7-12,17,22H,5-6,13-16H2,1-2H3;1H |
InChI Key: | WRNZYMZEVIVCFL-UHFFFAOYSA-N |
Appearance: | Powder |
Storage: | Room Temperature |
MDL: | MFCD22666388 |
LogP: | 6.09530 |
PMID | Publication Date | Title | Journal |
21847689 | 20111201 | Quantitative PK-PD model-based translational pharmacology of a novel kappa opioid receptor antagonist between rats and humans | The AAPS journal |
21821697 | 20111101 | Pharmacological characterization of 2-methyl-N-((2'-(pyrrolidin-1-ylsulfonyl)biphenyl-4-yl)methyl)propan-1-amine (PF-04455242), a high-affinity antagonist selective for κ-opioid receptors | The Journal of pharmacology and experimental therapeutics |
21832171 | 20111101 | Duration of action of a broad range of selective κ-opioid receptor antagonists is positively correlated with c-Jun N-terminal kinase-1 activation | Molecular pharmacology |
21744827 | 20110825 | Design and discovery of a selective small molecule κ opioid antagonist (2-methyl-N-((2'-(pyrrolidin-1-ylsulfonyl)biphenyl-4-yl)methyl)propan-1-amine, PF-4455242) | Journal of medicinal chemistry |
Complexity: | 515 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 408.163827 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 408.163827 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 57.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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