Found 162 results

Search term: MF = 'C_{23}H_{28}N_{4}O_{6}S_{2}'
ChemSpider 2D Image | 3-[(Benzylcarbamoyl)amino]-N-{[(4R)-5,5-dimethyl-3-(phenylsulfonyl)-1,3-thiazolidin-4-yl]carbonyl}-L-alanine | C23H28N4O6S2

3-[(Benzylcarbamoyl)amino]-N-{[(4R)-5,5-dimethyl-3-(phenylsulfonyl)-1,3-thiazolidin-4-yl]carbonyl}-L-alanine

  • Molecular FormulaC23H28N4O6S2
  • Average mass520.622 Da
  • Monoisotopic mass520.145020 Da
  • ChemSpider ID29422694

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-[(Benzylcarbamoyl)amino]-N-{[(4R)-5,5-dimethyl-3-(phenylsulfonyl)-1,3-thiazolidin-4-yl]carbonyl}-L-alanin [German] [ACD/IUPAC Name]
3-[(Benzylcarbamoyl)amino]-N-{[(4R)-5,5-dimethyl-3-(phenylsulfonyl)-1,3-thiazolidin-4-yl]carbonyl}-L-alanine [ACD/IUPAC Name]
3-[(Benzylcarbamoyl)amino]-N-{[(4R)-5,5-diméthyl-3-(phénylsulfonyl)-1,3-thiazolidin-4-yl]carbonyl}-L-alanine [French] [ACD/IUPAC Name]
L-Alanine, N-[[(4R)-5,5-dimethyl-3-(phenylsulfonyl)-4-thiazolidinyl]carbonyl]-3-[[[(phenylmethyl)amino]carbonyl]amino]- [ACD/Index Name]
(2S)-2-[[(4R)-3-(benzenesulfonyl)-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-(benzylcarbamoylamino)propanoic acid
[916734-43-5] [RN]
916734-43-5 [RN]
N-?[[(4R)?-?5,?5-?dimethyl-?3-?(phenylsulfonyl)?-?4-?thiazolidinyl]?carbonyl]?-?3-?[[[(phenylmethyl)?amino]?carbonyl]?amino]?-L-?Alanine
N-[[(4R)-5,5-Dimethyl-3-(phenylsulfonyl)-4-thiazolidinyl]carbonyl]-3-[[[(phenylmethyl)amino]carbonyl]amino]-L-alanine
TC-I 15
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties

    • Experimental Solubility:

      Soluble to 100 mM in DMSO and to 25 mM in 1.1eq. NaOH Tocris Bioscience 4527
      Soluble to 100 mM in DMSO and to 50 mM in 1eq. NaOH Tocris Bioscience 4527
  • Miscellaneous

    • Safety:

      Sold under license from the University of Pennsylvania. Tocris Bioscience 4527

    • Bio Activity:

      Enzyme-Linked Receptors Tocris Bioscience 4527
      Integrin Receptors Tocris Bioscience 4527
      Integrins Tocris Bioscience 4527
      Potent ?2?1 inhibitor; displays antithrombotic activity in vivo Tocris Bioscience 4527
      Potent ?2?1 integrin inhibitor (IC50 values for the inhibition of human platelet adhesion to type I collagen are 12 and 715 nM for platelets under static conditions and under flow, respectively). Disp lays selectivity for ?2?1 over ?v?3, ?5?1, ?6?1 and ?IIb?3 at concentrations exceeding 1000 nM. Reduces collagen IV production in mesangial cells. Active in vivo; prevents ferric chloride-induced clot formation in mice. Tocris Bioscience 4527
      Potent ?2?1 integrin inhibitor (IC50 values for the inhibition of human platelet adhesion to type I collagen are 12 and 715 nM for platelets under static conditions and under flow, respectively). Displays selectivity for ?2?1 over ?v?3, ?5?1, ?6?1 and ?IIb?3 at concentrations exceeding 1000 nM. Reduces collagen IV production in mesangial cells. Active in vivo; prevents ferric chloride-induced clot formation in mice. Tocris Bioscience 4527
      Potent alpha2beta1 inhibitor; displays antithrombotic activity in vivo Tocris Bioscience 4527
      Potent alpha2beta1 integrin inhibitor (IC50 values for the inhibition of human platelet adhesion to type I collagen are 12 and 715 nM for platelets under static conditions and under flow, respectively). Displays selectivity for alpha2beta1 over alphavbeta3, alpha5beta1, alpha6beta1 and alphaIIbbeta3 at concentrations exceeding 1000 nM. Reduces collagen IV production in mesangial cells. Active in vivo; prevents ferric chloride-induced clot formation in mice. Tocris Bioscience 4527

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 133.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.13
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 381.5±3.0 cm3

Click to predict properties on the Chemicalize site


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