ChemSpider 2D Image | suramin | C51H40N6O23S6

suramin

  • 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]
6032D45BEM
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]
Fourneau
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3230873; 8185304 [DBID]
AIDS000067 [DBID]
AIDS-000067 [DBID]
Bayer 205 [DBID] [Trade name]
BRN 3230873 [DBID]
C07974 [DBID]
CHEBI:9363 [DBID]
CI-1003 [DBID]
DivK1c_006758 [DBID]
Farma 939 [DBID]
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A member of the class of phenylureas that is urea in which each of the amino groups has been substituted by a 3-({2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl group. An act ivator of both the rabbit skeletal muscle RyR1 and sheep cardiac RyR2 isoform ryanodine receptor channels, it has been used for the treatment of human African trypanosomiasis for over 100 years. ChEBI CHEBI:45906

    • 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, version: 14.00

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

Click to predict properties on the Chemicalize site


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