581809-67-8,MFCD07696058
Catalog No.:AA00ELSY

581809-67-8 | 1-(4-(TRIFLUOROMETHYL)BENZYL)-3-(ISOQUINOLIN-5-YL)UREA

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
1 week  
$210.00   $147.00
- +
2mg
1 week  
$283.00   $198.00
- +
5mg
1 week  
$397.00   $278.00
- +
10mg
1 week  
$575.00   $403.00
- +
25mg
1 week  
$911.00   $638.00
- +
50mg
1 week  
$1,258.00   $880.00
- +
100mg
1 week  
$1,680.00   $1,176.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00ELSY
Chemical Name:
1-(4-(TRIFLUOROMETHYL)BENZYL)-3-(ISOQUINOLIN-5-YL)UREA
CAS Number:
581809-67-8
Molecular Formula:
C18H14F3N3O
Molecular Weight:
345.3185
MDL Number:
MFCD07696058
SMILES:
O=C(Nc1cccc2c1ccnc2)NCc1ccc(cc1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
449  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.5  

Literature

Title: Transient receptor potential vanilloid 1 mediates pain in mice with severe sickle cell disease.

Journal: Blood 20110922

Title: Chroman and tetrahydroquinoline ureas as potent TRPV1 antagonists.

Journal: Bioorganic & medicinal chemistry letters 20110301

Title: Spinal nerve ligation in mouse upregulates TRPV1 heat function in injured IB4-positive nociceptors.

Journal: The journal of pain : official journal of the American Pain Society 20100601

Title: Physiological basis of tingling paresthesia evoked by hydroxy-alpha-sanshool.

Journal: The Journal of neuroscience : the official journal of the Society for Neuroscience 20100324

Title: Moving towards supraspinal TRPV1 receptors for chronic pain relief.

Journal: Molecular pain 20100101

Title: Additive antinociceptive effects of the selective Nav1.8 blocker A-803467 and selective TRPV1 antagonists in rat inflammatory and neuropathic pain models.

Journal: The journal of pain : official journal of the American Pain Society 20090301

Title: Characterization of A-425619 at native TRPV1 receptors: a comparison between dorsal root ganglia and trigeminal ganglia.

Journal: European journal of pharmacology 20081031

Title: Effects of the transient receptor potential vanilloid 1 antagonist A-425619 on body temperature and thermoregulation in the rat.

Journal: Neuroscience 20080922

Title: TRPV1: a target for next generation analgesics.

Journal: Current neuropharmacology 20080601

Title: ThermoTRP channels in nociceptors: taking a lead from capsaicin receptor TRPV1.

Journal: Current neuropharmacology 20080301

Title: Identification of (R)-1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea (ABT-102) as a potent TRPV1 antagonist for pain management.

Journal: Journal of medicinal chemistry 20080214

Title: In vitro structure-activity relationship and in vivo characterization of 1-(aryl)-3-(4-(amino)benzyl)urea transient receptor potential vanilloid 1 antagonists.

Journal: Journal of medicinal chemistry 20070726

Title: Alpha-methylation at benzylic fragment of N-aryl-N'-benzyl ureas provides TRPV1 antagonists with better pharmacokinetic properties and higher efficacy in inflammatory pain model.

Journal: Bioorganic & medicinal chemistry letters 20070715

Title: The potential of transient receptor potential vanilloid type 1 channel modulators for the treatment of pain.

Journal: Journal of medicinal chemistry 20070531

Title: Use of the novel Contact Heat Evoked Potential Stimulator (CHEPS) for the assessment of small fibre neuropathy: correlations with skin flare responses and intra-epidermal nerve fibre counts.

Journal: BMC neurology 20070101

Title: Systemic and site-specific effects of A-425619, a selective TRPV1 receptor antagonist, on wide dynamic range neurons in CFA-treated and uninjured rats.

Journal: Journal of neurophysiology 20060101

Title: A-425619 [1-isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea], a novel transient receptor potential type V1 receptor antagonist, relieves pathophysiological pain associated with inflammation and tissue injury in rats.

Journal: The Journal of pharmacology and experimental therapeutics 20050701

Title: A-425619 [1-isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea], a novel and selective transient receptor potential type V1 receptor antagonist, blocks channel activation by vanilloids, heat, and acid.

Journal: The Journal of pharmacology and experimental therapeutics 20050701

Title: Novel transient receptor potential vanilloid 1 receptor antagonists for the treatment of pain: structure-activity relationships for ureas with quinoline, isoquinoline, quinazoline, phthalazine, quinoxaline, and cinnoline moieties.

Journal: Journal of medicinal chemistry 20050210

Title: Acidification of rat TRPV1 alters the kinetics of capsaicin responses.

Journal: Molecular pain 20050101

Title: N-isoquinolin-5-yl-N'-aralkyl-urea and -amide antagonists of human vanilloid receptor 1.

Journal: Bioorganic & medicinal chemistry letters 20040621

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Related Products of 581809-67-8
Tags:581809-67-8 Molecular Formula|581809-67-8 MDL|581809-67-8 SMILES|581809-67-8 1-(4-(TRIFLUOROMETHYL)BENZYL)-3-(ISOQUINOLIN-5-YL)UREA
Catalog No.: AA00ELSY
581809-67-8,MFCD07696058
581809-67-8 | 1-(4-(TRIFLUOROMETHYL)BENZYL)-3-(ISOQUINOLIN-5-YL)UREA
Pack Size: 1mg
Purity:
1 week
$210.00 $147.00
Pack Size: 2mg
Purity:
1 week
$283.00 $198.00
Pack Size: 5mg
Purity:
1 week
$397.00 $278.00
Pack Size: 10mg
Purity:
1 week
$575.00 $403.00
Pack Size: 25mg
Purity:
1 week
$911.00 $638.00
Pack Size: 50mg
Purity:
1 week
$1,258.00 $880.00
Pack Size: 100mg
Purity:
1 week
$1,680.00 $1,176.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00ELSY
Chemical Name: 1-(4-(TRIFLUOROMETHYL)BENZYL)-3-(ISOQUINOLIN-5-YL)UREA
CAS Number: 581809-67-8
Molecular Formula: C18H14F3N3O
Molecular Weight: 345.3185
MDL Number: MFCD07696058
SMILES: O=C(Nc1cccc2c1ccnc2)NCc1ccc(cc1)C(F)(F)F
Properties
Complexity: 449  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 25  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.5  
Literature fold

Title: Transient receptor potential vanilloid 1 mediates pain in mice with severe sickle cell disease.

Journal: Blood20110922

Title: Chroman and tetrahydroquinoline ureas as potent TRPV1 antagonists.

Journal: Bioorganic & medicinal chemistry letters20110301

Title: Spinal nerve ligation in mouse upregulates TRPV1 heat function in injured IB4-positive nociceptors.

Journal: The journal of pain : official journal of the American Pain Society20100601

Title: Physiological basis of tingling paresthesia evoked by hydroxy-alpha-sanshool.

Journal: The Journal of neuroscience : the official journal of the Society for Neuroscience20100324

Title: Moving towards supraspinal TRPV1 receptors for chronic pain relief.

Journal: Molecular pain20100101

Title: Additive antinociceptive effects of the selective Nav1.8 blocker A-803467 and selective TRPV1 antagonists in rat inflammatory and neuropathic pain models.

Journal: The journal of pain : official journal of the American Pain Society20090301

Title: Characterization of A-425619 at native TRPV1 receptors: a comparison between dorsal root ganglia and trigeminal ganglia.

Journal: European journal of pharmacology20081031

Title: Effects of the transient receptor potential vanilloid 1 antagonist A-425619 on body temperature and thermoregulation in the rat.

Journal: Neuroscience20080922

Title: TRPV1: a target for next generation analgesics.

Journal: Current neuropharmacology20080601

Title: ThermoTRP channels in nociceptors: taking a lead from capsaicin receptor TRPV1.

Journal: Current neuropharmacology20080301

Title: Identification of (R)-1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea (ABT-102) as a potent TRPV1 antagonist for pain management.

Journal: Journal of medicinal chemistry20080214

Title: In vitro structure-activity relationship and in vivo characterization of 1-(aryl)-3-(4-(amino)benzyl)urea transient receptor potential vanilloid 1 antagonists.

Journal: Journal of medicinal chemistry20070726

Title: Alpha-methylation at benzylic fragment of N-aryl-N'-benzyl ureas provides TRPV1 antagonists with better pharmacokinetic properties and higher efficacy in inflammatory pain model.

Journal: Bioorganic & medicinal chemistry letters20070715

Title: The potential of transient receptor potential vanilloid type 1 channel modulators for the treatment of pain.

Journal: Journal of medicinal chemistry20070531

Title: Use of the novel Contact Heat Evoked Potential Stimulator (CHEPS) for the assessment of small fibre neuropathy: correlations with skin flare responses and intra-epidermal nerve fibre counts.

Journal: BMC neurology20070101

Title: Systemic and site-specific effects of A-425619, a selective TRPV1 receptor antagonist, on wide dynamic range neurons in CFA-treated and uninjured rats.

Journal: Journal of neurophysiology20060101

Title: A-425619 [1-isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea], a novel transient receptor potential type V1 receptor antagonist, relieves pathophysiological pain associated with inflammation and tissue injury in rats.

Journal: The Journal of pharmacology and experimental therapeutics20050701

Title: A-425619 [1-isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea], a novel and selective transient receptor potential type V1 receptor antagonist, blocks channel activation by vanilloids, heat, and acid.

Journal: The Journal of pharmacology and experimental therapeutics20050701

Title: Novel transient receptor potential vanilloid 1 receptor antagonists for the treatment of pain: structure-activity relationships for ureas with quinoline, isoquinoline, quinazoline, phthalazine, quinoxaline, and cinnoline moieties.

Journal: Journal of medicinal chemistry20050210

Title: Acidification of rat TRPV1 alters the kinetics of capsaicin responses.

Journal: Molecular pain20050101

Title: N-isoquinolin-5-yl-N'-aralkyl-urea and -amide antagonists of human vanilloid receptor 1.

Journal: Bioorganic & medicinal chemistry letters20040621

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