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

CAS: 402939-18-8 Cat. No.: C342350 Molecular Weight: 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

Overview

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

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

Specifications & Purity

≥95%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504763026
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763026
• Canonical Smiles: 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)
• Isomeric SMILES: CCCCCCCCCCCCNC(=O)NC1CCCCC1
• Molecular Weight: 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
    • Class Organic carbonic acids and derivatives
      • Subclass Ureas

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in CH2Cl2 (1 mg/ml).
• Sensitivity: Light sensitive
• Refractive Index: n20D1.48 (Predicted)
• Boil Point(°C): ~465.1° C at 760 mmHg (Predicted)
• Melt Point(°C): 94-95° C
• Molecular Weight: 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