1-Cyclohexyl-3′-dodecylurea - ≥95% , CAS No.402939-18-8

CAS: 402939-18-8 Cat. No.: C342350 Summenformel: C₁₉H₃₈N₂O Molekulargewicht: 310.52

GRADE & PURITY ≥95%

Synonyms

N-Cyclohexyl-N'-dodecylurea | Urea, N-cyclohexyl-N'-dodecyl- | 1-Cyclohexyl-3'-dodecylurea | 1-cyclohexyl-3-dodecylurea | CDU;N-Cyclohexyl-N-dodecyl urea;NCND | 1-cyclohexyl-3-dodecyl urea | NCND | MS-24526 | US8815951, 297 | AKOS003254832 | DTXSID9040328

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

1-Cyclohexyl-3′-dodecylurea, is a cell-permeable 1,3-disubstituted urea compound that displays anti-hypertensive and anti-inflammatory properties. 1-Cyclohexyl-3′-dodecylurea acts as a strong, selective, competitive, and tight-binding transition-state analog inhibitor of soluble epoxide hydrolase. The compound has been reported to decrease human vascular smooth muscle cell proliferation.

Specifications

Synonyme

N-Cyclohexyl-N'-dodecylurea | Urea, N-cyclohexyl-N'-dodecyl- | 1-Cyclohexyl-3'-dodecylurea | 1-cyclohexyl-3-dodecylurea | CDU;N-Cyclohexyl-N-dodecyl urea;NCND | 1-cyclohexyl-3-dodecyl urea | NCND | MS-24526 | US8815951, 297 | AKOS003254832 | DTXSID9040328

Spezifikationen & Reinheit

≥95%

Storage

Protected from light,Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Aktionsart

INHIBITOR

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504763026

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763026

Kanonisches Lächeln

CCCCCCCCCCCCNC(=O)NC1CCCCC1

IUPAC Name

1-cyclohexyl-3-dodecylurea

InChIKey

POEWFBSYPFIYSK-UHFFFAOYSA-N

INCHI

1S/C19H38N2O/c1-2-3-4-5-6-7-8-9-10-14-17-20-19(22)21-18-15-12-11-13-16-18/h18H,2-17H2,1H3,(H2,20,21,22)

Isomere SMILES

CCCCCCCCCCCCNC(=O)NC1CCCCC1

Molekulargewicht

310.52

Reaxy-Rn

9353068

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9353068&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Organic carbonic acids and derivatives
      • Subclass Ureas

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Organic carbonic acids and derivatives
• Subclass: Ureas
• Intermediate Tree Nodes: Not available
• Direct Parent: Ureas
• Alternative Parents: Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Urea - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as ureas. These are compounds containing two amine groups joined by a carbonyl (C=O) functional 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

Zugehörige Ziele (menschlich)

EPHX1 Tchem Epoxide hydrolase 1 (1 Activities)

Discover Target: EPHX1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

EPHX1 Tchem Epoxide hydrolase 1 (644 Activities)

Discover Target: EPHX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in CH2Cl2 (1 mg/ml).
• Empfindlichkeit: Light sensitive
• Brechungsindex: n20D1.48 (Predicted)
• Siedepunkt (°C): ~465.1° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): 94-95° C
• Molekulargewicht: 310.500 g/mol
• XLogP3: 6.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 310.298 Da
• Monoisotopic Mass: 310.298 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 262.000
• 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: 1