ChemSpider 2D Image | suramin | C51H40N6O23S6


  • Molecular FormulaC51H40N6O23S6
  • Average mass1297.280 Da
  • Monoisotopic mass1296.046875 Da
  • ChemSpider ID5168

More details:

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

1,3,5-Naphthalenetrisulfonic acid, 8,8'-(carbonylbis(imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino))bis-
1,3,5-Naphthalenetrisulfonic acid, 8,8'-[carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino]]bis- [ACD/Index Name]
145-63-1 [RN]
205-658-4 [EINECS]
8,8'-{Carbonylbis[imino-3,1-phenylencarbonylimino(4-methyl-3,1-phenylen)carbonylimino]}di(1,3,5-naphthalintrisulfonsäure) [German] [ACD/IUPAC Name]
8,8'-{Carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino]}di(1,3,5-naphthalenetrisulfonic acid) [ACD/IUPAC Name]
8-[(4-Methyl-3-{[3-({[3-({2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl]carbamoyl}amino)benzoyl]amino}benzoyl)amino]naphthalene-1,3,5-trisulfonic acid
Acide 8,8'-{carbonylbis[imino-3,1-phénylènecarbonylimino(4-méthyl-3,1-phénylène)carbonylimino]}di(1,3,5-naphtalènetrisulfonique) [French] [ACD/IUPAC Name]

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

AIDS000067 [DBID]
AIDS-000067 [DBID]
Bayer 205 [DBID] [Trade name]
BRN 3230873 [DBID]
C07974 [DBID]
CI-1003 [DBID]
DivK1c_006758 [DBID]
Farma 939 [DBID]
KBio1_001702 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      GPCR/G protein MedChem Express HY-B0879
      GPCR/G protein; MedChem Express HY-B0879
      P2Y Receptor MedChem Express HY-B0879
      Suramin is a polysulfonated naphthylurea that inhibits the binding of calmodulin to recognition sites on the ryanodine receptor-1 (IC50 = 4.9 ?M), blocks G protein coupling to GPCRs, and non-selectively antagonizes P2 purinergic receptors (10-100 ?M).; IC50 value: ; Target: P2Y Receptor antagonist; Suramin also acts as a non-specific competitor of glycosaminoglycan binding to a variety of targets including TGF?, PDGF, and FGF and additionally inhibits insulin-like growth factor-l, EGF, PKC activity, TNF, IL-2, transferrin, and Apo-B [3]. MedChem Express HY-B0879

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.777
Molar Refractivity: 302.4±0.4 cm3
#H bond acceptors: 29
#H bond donors: 12
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 2.19
ACD/LogD (pH 5.5): -12.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 534 Å2
Polarizability: 119.9±0.5 10-24cm3
Surface Tension: 105.6±3.0 dyne/cm
Molar Volume: 722.8±3.0 cm3

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