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Home > Products > Pharmaceutical R&D Materials > Functional Building Blocks > 1,3-BIS(2-HYDROXY-5-(TRIFLUOROMETHYL)PHENYL)UREA
1,3-BIS(2-HYDROXY-5-(TRIFLUOROMETHYL)PHENYL)UREA structure, CAS 448895-37-2

1,3-BIS(2-HYDROXY-5-(TRIFLUOROMETHYL)PHENYL)UREA

CAS Number448895-37-2

Synonymsns1643; NS-1643

Molecular FormulaC15H10F6N2O3

Molecular Weight380.24200

Purity96+%

Density1.627g/cm3

Boiling Point342.311ºC at 760 mmHg

Melting Point

Flash Point

Appearancewhite solid

EINECS0

MSDSChineseEnglish

Symboltransportation

Signal WordWarning

Cat. No.: 2A-0103145 Purity: 96+%
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Quality Control of [ 448895-37-2 ] Purity: 96+% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number448895-37-2
Catalog No.2A-0103145
Chinese NameNS1643
Synonymsns1643; NS-1643
Molecular FormulaC15H10F6N2O3
Molecular Weight380.24200
Purity96+
Density1.627g/cm3
Boiling Point342.311ºC at 760 mmHg
Appearancewhite solid
Storage Condition-20℃
ApplicationNS1643 is a highly effective hERG inhibitor with an EC50 value of 10.5uM.
EINECS0
HTC0
UN(IATA)0
SMILESO=C(Nc1cc(C(F)(F)F)ccc1O)Nc1cc(C(F)(F)F)ccc1O
InChI KeyNJFVQMRYJZHGME-UHFFFAOYSA-N
Hazard Symbolstransportation
MSDSmsds/103145_2_448895_37_2.pdf
BioactivityNS1643 is a potent human ether-a-go-go related gene (hERG) KV11.1 channel activator (EC50 = 10.5 μM).IC50 value:Target: HERG activatorin vitro: NS1643 enhanced the magnitude of wild-type hERG current in a concentration- and voltage-dependent manner with an EC(50) of 10.4 microM at -10 mV. The fully activated current-voltage relationship revealed that the drug increased outward but not inward currents, consistent with altered inactivation gating. NS1643 shifted the voltage dependence of inactivation by +21 mV at 10 microM and +35 mV at 30 microM, but it did not alter the voltage dependence of activation of hERG channels [1]. In Xenopus laevis oocytes, NS1643 increased both steady-state and tail current at all voltages tested. The EC(50) value for HERG channel activation was 10.5 microM [2]. NS1643 also activates the ERG2 channel; however, the molecular mechanism of the activation differs between the ERG1 and ERG2 channels. For ERG2, NS1643 causes a left-ward shift of the activation curve, a faster time-constant of activation and a slower time-constant of inactivation as well as an increased relative importance for the fast component of deactivation to the total deactivation. In contrast, for ERG1, NS1643 causes a right-ward shift in the voltage-dependent release from inactivation but does not affect time-constants of deactivation [3]. Related Catalog Signaling Pathways >> Autophagy >> Autophagy Signaling Pathways >> Membrane Transporter/Ion Channel >> Potassium Channel Research Areas >> Others References [1]. Casis O, et al. Mechanism of action of a novel human ether-a-go-go-related gene channel activator. Mol Pharmacol. 2006 Feb;69(2):658-65. [2]. Hansen RS, et al. Activation of human ether-a-go-go-related gene potassium channels by the diphenylurea 1,3-bis-(2-hydroxy-5-trifluoromethyl-phenyl)-urea (NS1643). Mol Pharmacol. 2006 Jan;69(1):266-77. [3]. Elmedyb P, et al. Activation of ERG2 potassium channels by the diphenylurea NS1643. Neuropharmacology. 2007 Aug;53(2):283-94. Chemical & Physical Properties Density 1.627g/cm3 Boiling Point 342.311ºC at 760 mmHg Molecular Formula C15H10F6N2O3 Molecular Weight 380.24200 Flash Point 160.824ºC Exact Mass 380.06000 PSA 81.59000 LogP 4.92540 Appearance of Characters white solid Index of Refraction 1.589 InChIKey NJFVQMRYJZHGME-UHFFFAOYSA-N SMILES O=C(Nc1cc(C(F)(F)F)ccc1O)Nc1cc(C(F)(F)F)ccc1O Storage condition -20℃
Use ofProperties Name 1,3-bis[2-hydroxy-5-(trifluoromethyl)phenyl]urea Synonym More Synonyms NS-1643 Biological Activity Related Catalog Signaling Pathways >> Autophagy >> Autophagy Signaling Pathways >> Membrane Transporter/Ion Channel >> Potassium Channel Research Areas >> Others References [1]. Casis O, et al. Mechanism of action of a novel human ether-a-go-go-related gene channel activator. Mol Pharmacol. 2006 Feb;69(2):658-65. [2]. Hansen RS, et al. Activation of human ether-a-go-go-related gene potassium channels by the diphenylurea 1,3-bis-(2-hydroxy-5-trifluoromethyl-phenyl)-urea (NS1643). Mol Pharmacol. 2006 Jan;69(1):266-77. [3]. Elmedyb P, et al. Activation of ERG2 potassium channels by the diphenylurea NS1643. Neuropharmacology. 2007 Aug;53(2):283-94. Chemical & Physical Properties Molecular Formula C15H10F6N2O3 Exact Mass 380.06000 PSA 81.59000 LogP 4.92540 Appearance of Characters white solid Index of Refraction 1.589 InChIKey NJFVQMRYJZHGME-UHFFFAOYSA-N Storage condition -20℃
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (NS1643) IMDG Code: TOXIC SOLID, ORGANIC, N.O.S. (NS1643) International air transport hazard regulations: Toxic solid, organic, n.o.s. (NS1643) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available
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