ChemSpider 2D Image | Rimiducid | C78H98N4O20

Rimiducid

  • Molecular FormulaC78H98N4O20
  • Average mass1411.627 Da
  • Monoisotopic mass1410.677490 Da
  • ChemSpider ID17292138

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R)-3-(3,4-dimethoxyphenyl)-1-[3-({[2-(2-{3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carbonyloxy]propyl]phenoxy}acetamido)ethyl]carbamoyl}methoxy)phenyl]propyl (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)bu
(2S,2'S)Bis{1-[(2S)-2-(3,4,5-triméthoxyphényl)butanoyl]-2-pipéridinecarboxylate} de 1,2-éthanediylbis[imino(2-oxo-2,1-éthanediyl)oxy-3,1-phénylène(1R)-3-(3,4-diméthoxyphényl)-1,1-propanediyle] [French] [ACD/IUPAC Name]
1,2-Ethandiylbis[imino(2-oxo-2,1-ethandiyl)oxy-3,1-phenylen(1R)-3-(3,4-dimethoxyphenyl)-1,1-propandiyl]-(2S,2'S)bis{1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]-2-piperidincarboxylat} [German] [ACD/IUPAC Name]
1,2-Ethanediylbis[imino(2-oxo-2,1-ethanediyl)oxy-3,1-phenylene(1R)-3-(3,4-dimethoxyphenyl)-1,1-propanediyl] (2S,2'S)bis{1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]-2-piperidinecarboxylate} [ACD/IUPAC Name]
195514-63-7 [RN]
2-piperidinecarboxylic acid, 1-[(2S)-1-oxo-2-(3,4,5-trimethoxyphenyl)butyl]-, 1,2-ethanediylbis[imino(2-oxo-2,1-ethanediyl)oxy-3,1-phenylene(1R)-3-(3,4-dimethoxyphenyl)propylidene] ester, (2S,2'S)- [ACD/Index Name]
AP1903
AP-1903
ethane-1,2-diylbis[imino(2-oxoethane-2,1-diyl)oxybenzene-3,1-diyl(1R)-3-(3,4-dimethoxyphenyl)propane-1,1-diyl] (2S,2'S)bis{1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate}
rimiducid [Spanish] [INN]
More...

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

9737 [DBID]
H564L1W5J2 [DBID]
UNII:H564L1W5J2 [DBID]
UNII-H564L1W5J2 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      AP1903 is a homodimer binding to FKBP; elicites potent and dosedependent apoptotic death of engineered cell line HT1080 in culture with an EC50 of 0.1 nM MedChem Express
      AP1903 is a homodimer binding to FKBP; elicites potent and dosedependent apoptotic death of engineered cell line HT1080 in culture with an EC50 of 0.1 nM; IC50 value: 0.1 nM (EC50, HT1080) [1]; Target: FKBP regulator; AP1903 is a ideal reagents for controlling the activities of cells that have been modified by gene therapy procedures, without interference from endogenous FKBP.; Constitutive hGH secretion provides a convenient and accurate; way to monitor the number of viable cells in vivo because hGH; has a serum half-life of only '3 min in mice (22, 23). MedChem Express HY-16046
      AP1903 is a homodimer binding to FKBP; elicites potent and dosedependent apoptotic death of engineered cell line HT1080 in culture with an EC50 of 0.1 nM;IC50 value: 0.1 nM (EC50, HT1080) [1];Target: FKBP regulatorAP1903 is a ideal reagents for controlling the activities of cells that have been modified by gene therapy procedures, without interference from endogenous FKBP.Constitutive hGH secretion provides a convenient and accurateway to monitor the number of viable cells in vivo because hGHhas a serum half-life of only '3 min in mice (22, 23). Over 3consecutive days, we implanted these cells i.m. into nude mice,;Treated the animals i.v. with various doses of AP1903, and thendetermined serum hGH levels as a measure of the number ofsurviving cells. Fig. 5B shows that AP1903 elicited a dosedependent decrease in serum hGH levels, with a half-maximaleffective dose of 0.4 6 0.1 mg/kg [1]. No drug-related adverse events were observed at any of the dose levels with the p MedChem Express HY-16046
      Others MedChem Express HY-16046

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 1307.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 197.3±3.0 kJ/mol
Flash Point: 744.5±34.3 °C
Index of Refraction: 1.566
Molar Refractivity: 381.4±0.3 cm3
#H bond acceptors: 24
#H bond donors: 2
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 10.39
ACD/LogD (pH 5.5): 8.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1492362.63
ACD/LogD (pH 7.4): 8.82
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1492361.00
Polar Surface Area: 262 Å2
Polarizability: 151.2±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 1169.4±3.0 cm3

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