ChemSpider 2D Image | 3-[(1E,6Z,12Z,23S,24R)-22,23-Bis(methoxycarbonyl)-5-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-14-vinyl-25,26,27,28-tetraazahexacyclo[16.6.1.1~3,6~.1~8,11~.1~13,16~.0~19,24~]octacosa-1,3(28),4,6,8
,10,12,14,16(26),17,19,21-dodecaen-9-yl]propanoic acid | C41H42N4O8

3-[(1E,6Z,12Z,23S,24R)-22,23-Bis(methoxycarbonyl)-5-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-14-vinyl-25,26,27,28-tetraazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3(28),4,6,8 ,10,12,14,16(26),17,19,21-dodecaen-9-yl]propanoic acid

  • Molecular FormulaC41H42N4O8
  • Average mass718.794 Da
  • Monoisotopic mass718.300293 Da
  • ChemSpider ID34500436
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-[(1E,6Z,12Z,23S,24R)-22,23-Bis(methoxycarbonyl)-5-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-14-vinyl-25,26,27,28-tetraazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3(28),4,6,8 ,10,12,14,16(26),17,19,21-dodecaen-9-yl]propanoic acid [ACD/IUPAC Name]
3-[(1E,6Z,12Z,23S,24R)-22,23-Bis(methoxycarbonyl)-5-(3-methoxy-3-oxopropyl)-4,10,15,24-tetramethyl-14-vinyl-25,26,27,28-tetraazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3(28),4,6,8 ,10,12,14,16(26),17,19,21-dodecaen-9-yl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[(1E,6Z,12Z,23S,24R)-22,23-bis(méthoxycarbonyl)-5-(3-méthoxy-3-oxopropyl)-4,10,15,24-tétraméthyl-14-vinyl-25,26,27,28-tétraazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3(28)
 ,4,6,8,10,12,14,16(26),17,19,21-dodécaén-9-yl]propanoïque [French] [ACD/IUPAC Name]
[129497-78-5]
129497-78-5 [RN]
DJ2062500
Verteporfin [Wiki]
Visudyne |
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      YAP inhibitor; disrupts YAP-TEAD interactions Tocris Bioscience 5305
      YAP inhibitor; disrupts YAP-TEAD interactions. Enhances trypsin cleavage of YAP (EC50 = 100 nM). Inhibits growth and proliferation of retinoblastoma cells. Also suppresses cancer stem cell properties in vitro. Suppresses YAP-induced liver overgrowth in mice. Tocris Bioscience 5305

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 1143.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 176.7±3.0 kJ/mol
Flash Point: 645.3±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 188.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 7.20
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 174 Å2
Polarizability: 74.7±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 528.9±5.0 cm3

Click to predict properties on the Chemicalize site






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