ChemSpider 2D Image | EG00229 | C17H19N7O5S3

EG00229

  • Molecular FormulaC17H19N7O5S3
  • Average mass497.572 Da
  • Monoisotopic mass497.060974 Da
  • ChemSpider ID24657815

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido)thiophene-2-carboxamido)-5-guanidinopentanoic acid
1018927-63-3 [RN]
EG00229
L-Arginine, N2-[[3-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-thienyl]carbonyl]- [ACD/Index Name]
MFCD18251520
N2-({3-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-2-thienyl}carbonyl)-L-arginin [German] [ACD/IUPAC Name]
N2-({3-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-2-thienyl}carbonyl)-L-arginine [ACD/IUPAC Name]
N2-({3-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-2-thiényl}carbonyl)-L-arginine [French] [ACD/IUPAC Name]
N2-[[3-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-2-thienyl]carbonyl]-L-arginine
[1018927-63-3] [RN]
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A member of the class of thiophenes that is thiophene substituted by a carbonyl-L-arginine and (2,1,3-benzothiadiazole-4-sulfonyl)amino groups at positions 2 and 3. It is an inhibitor of the neuropili n-1 and VEGF-A interaction and a potential anti-cancer agent. ChEBI CHEBI:166820

    • Bio Activity:

      Enzyme-Linked Receptors Tocris Bioscience 4931
      Neuropilin 1 (NRP1) receptor antagonist; inhibits VEGFA binding to NRP1 Tocris Bioscience 4931
      Neuropilin 1 (NRP1) receptor antagonist; inhibits VEGFA binding to the NRP1 b1 domain. Has no effect on VEGFA binding to VEGFR-1 and VEGFR-2. Reduces VEGFA-induced VEGFR-2 tyrosine phosphorylation in HUV-EC-C endothelial cells. Also attenuates VEGFA-induced HUV-EC-C cell migration and reduces A549 lung carcinoma cell viability in vitro. Increases chemo-sensitivity of A549 cells in combination with Taxol (Cat. No. 1097). Tocris Bioscience 4931
      Neuropilin 1 (NRP1) receptor antagonist; inhibits VEGFA binding to the NRP1 b1 domain. Has no effect on VEGFA binding to VEGFR-1 and VEGFR-2. Reduces VEGFA-induced VEGFR-2 tyrosine phosphorylation in HUVECs. Also attenuates VEGFA-induced HUVEC cell migration and reduces A549 lung carcinoma cell viability in vitro. Increases chemo-sensitivity of A549 cells in combination with Taxol (Cat. No. 1097). Tocris Bioscience 4931
      Neuropilin 1 (NRP1) receptor antagonist; inhibits VEGFA binding to the NRP1 b1 domain. Has no effect on VEGFA binding to VEGFR-1 and VEGFR-2. Reduces VEGFA-induced VEGFR-2 tyrosine phosphorylation in HUVECs. Also attenuates VEGFA-induced HUVEC cell migration and reduces A549 lung carcinoma cell viability in vitro. Increases chemo-sensitivity of A549 cells in combination with Taxol (Cat. No. 1097). Blocks pro-tumorigenic M2 polarization in glioma-associated microglia and macrophages and reduces tumor growth and vascularization in NSG mice. Tocris Bioscience 4931
      Receptor Tyrosine Kinases (RTKs) Tocris Bioscience 4931
      VEGFR Tocris Bioscience 4931

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.810
Molar Refractivity: 120.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -2.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 265 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 89.2±7.0 dyne/cm
Molar Volume: 278.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement