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

CAS: 17692-31-8 Cat. No.: D422157 Formula: C₁₃H₂₀N₂O₂ Peso molecolare: 236.31 Numero EC: 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

Sinonimi

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

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

• Pubchem Sid: 528774696
• Sorrisi canonici: 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
• Isomeri SMILES: C1CN(CCN1CC(CO)O)C2=CC=CC=C2
• WGK Germania: 3
• Peso molecolare: 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
    • Classe Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

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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Obiettivi associati (non umani)

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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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 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

Riferimenti

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]