(±)-Dropropizine - 10mM in DMSO , CAS No.17692-31-8

CAS: 17692-31-8 Cat. No.: D422157 Summenformel: C₁₃H₂₀N₂O₂ Molekulargewicht: 236.31 EG-Nummer: 241-683-7

GRADE & PURITY 10mM in DMSO

Synonyms

HMS1921B07 | NSC-757820 | Prestwick1_000245 | Dropropizinum [INN-Latin] | NCGC00018230-05 | rac Dropropizine | 3-(4-Phenyl-1-piperazinyl)-1,2-propanediol | 3-(4-phenylpiperazinyl)propane-1,2-diol | DROPROPIZINE [MI] | BSPBio_000030 | Tox21_110842_1 | Dopr

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyme

HMS1921B07 | NSC-757820 | Prestwick1_000245 | Dropropizinum [INN-Latin] | NCGC00018230-05 | rac Dropropizine | 3-(4-Phenyl-1-piperazinyl)-1,2-propanediol | 3-(4-phenylpiperazinyl)propane-1,2-diol | DROPROPIZINE [MI] | BSPBio_000030 | Tox21_110842_1 | Dopr

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

• Pubchem Sid: 528774696
• Kanonisches Lächeln: C1CN(CCN1CC(CO)O)C2=CC=CC=C2
• IUPAC Name: 3-(4-phenylpiperazin-1-yl)propane-1,2-diol
• InChIKey: PTVWPYVOOKLBCG-UHFFFAOYSA-N
• INCHI: 1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2
• Isomere SMILES: C1CN(CCN1CC(CO)O)C2=CC=CC=C2
• WGK Deutschland: 3
• Molekulargewicht: 236.31
• Reaxy-Rn: 615737
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=615737&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Dialkylarylamines Aniline and substituted anilines N-alkylpiperazines 1,3-aminoalcohols Trialkylamines Secondary alcohols 1,2-diols 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - N-alkylpiperazine - Benzenoid - Monocyclic benzene moiety - 1,3-aminoalcohol - 1,2-diol - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Secondary alcohol - Azacycle - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary alcohol - Amine - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine 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

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

Discover Target: GLS

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Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Plasmodium falciparum (966862 Activities)

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Cavia porcellus (23802 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 236.310 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 236.152 Da
• Monoisotopic Mass: 236.152 Da
• Topological Polar Surface Area: 46.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 211.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referenzen

1. Zhenhe Chen, Jianling Sun, Yong He, Tingting Zhang, Run Hao, Aijun Shi, Eduardo Enciso.  (2018)  Enhanced fluorescence detection of enrofloxacin with curved-surface responsive inverse opal polymers and molecular imprinting.  Analytical Methods,  11  (8): (1043-1052).  [PMID:] [10.1039/C8AY02329H]