ChemSpider 2D Image | Eletriptan hydrobromide | C22H27BrN2O2S

Eletriptan hydrobromide

  • Molecular FormulaC22H27BrN2O2S
  • Average mass463.431 Da
  • Monoisotopic mass462.097656 Da
  • ChemSpider ID570985

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-3-((1-Methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)-1H-indole monohydrobromide
177834-92-3 [RN]
1H-Indole, 3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-5-[2-(phenylsulfonyl)ethyl]-, hydrobromide (1:1) [ACD/Index Name]
1H-indole, 3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-5-[2-(phenylsulfonyl)ethyl]-, monohydrobromide
3-{[(2R)-1-Methyl-2-pyrrolidinyl]methyl}-5-[2-(phenylsulfonyl)ethyl]-1H-indole hydrobromide (1:1) [ACD/IUPAC Name]
3-{[(2R)-1-Méthyl-2-pyrrolidinyl]méthyl}-5-[2-(phénylsulfonyl)éthyl]-1H-indole, bromhydrate (1:1) [French] [ACD/IUPAC Name]
3-{[(2R)-1-Methyl-2-pyrrolidinyl]methyl}-5-[2-(phenylsulfonyl)ethyl]-1H-indolhydrobromid (1:1) [German] [ACD/IUPAC Name]
3-{[(2R)-1-méthylpyrrolidin-2-yl]méthyl}-5-[2-(phénylsulfonyl)éthyl]-1H-indole bromhydrate
3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-5-[2-(phenylsulfonyl)ethyl]-1H-indole hydrobromide
3-{[(2R)-1-Methylpyrrolidin-2-yl]methyl}-5-[2-(phenylsulfonyl)ethyl]-1H-indole hydrobromide (1:1)
More...

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

M41W832TA3 [DBID]
UK 116044-04 [DBID]
D01973 [DBID]
UK-116044-04 [DBID]
UNII:M41W832TA3 [DBID]
UNII-M41W832TA3 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold for research purposes under agreement from Pfizer Inc. Tocris Bioscience 3862

    • Bio Activity:

      5-HT Receptor MedChem Express HY-A0010
      5-HT Receptors Tocris Bioscience 3862
      5-HT1 Receptors Tocris Bioscience 3862
      7-TM Receptors Tocris Bioscience 3862
      Biochemicals & small molecules/Agonists & activators Hello Bio HB1775
      Eletriptan HBr is a selective 5-HT1B and 5-HT1D receptor agonist with Ki of 0.92 nM and 3.14 nM, respectively.; IC50 value: 0.82 nM/3.14 nM (5-HT1B/5-HT1D, Ki) [1]; Target: 5-HT1B/5-HT1D ; in vitro: [3H]Eletriptan has a total number of binding sites (Bmax) of 2478 fmol/mg and 1576 fmol/mg for 5-HT1B and 5-HT1D, respectively. MedChem Express HY-A0010
      Eletriptan HBr is a selective 5-HT1B and 5-HT1D receptor agonist with Ki of 0.92 nM and 3.14 nM, respectively.;IC50 value: 0.82 nM/3.14 nM (5-HT1B/5-HT1D, Ki) [1];Target: 5-HT1B/5-HT1D ;In vitro: [3H]Eletriptan has a total number of binding sites (Bmax) of 2478 fmol/mg and 1576 fmol/mg for 5-HT1B and 5-HT1D, respectively. [3H]Eletriptan has a significantly faster association rate (K(on) 0.249/min/nM) than [3H]sumatriptan (K(on) 0.024/min/nM) and a significantly slower off-rate (K(off) 0.027/min compared to 0.037/min for [3H]sumatriptan) [1]. Eletriptan induces concentration-dependent contractions of meningeal artery, coronary artery, and saphenous vein. The potency of Eletriptan is higher in meningeal artery than in coronary artery (86-fold) or saphenous vein (66-fold). The predicted contraction by Eletriptan (40 mg and 80 mg) and sumatriptan (100 mg) at free C(max) observed in clinical trials is similar in meningeal artery [2].;In vivo: Eletriptan (<1000 mg/kg, i.v.) produces a d MedChem Express HY-A0010
      GPCR/G protein MedChem Express HY-A0010
      GPCR/G protein; Neuronal Signaling; MedChem Express HY-A0010
      Orally active, selective 5-HT1B/1D agonist Tocris Bioscience 3862
      Orally active, selective 5-HT1B/1D receptor agonist. Produces a dose-dependent reduction in carotid artery blood flow in vivo. Displays antimigraine activity. Tocris Bioscience 3862
      Receptors & Transporters/G protein coupled receptors/5-HT/5-HT<sub>1</sub>/5-HT<sub>1B</sub> Hello Bio HB1775
      Receptors & Transporters/G protein coupled receptors/5-HT/5-HT<sub>1</sub>/5-HT<sub>1D</sub> Hello Bio HB1775
      Selective 5-HT<sub>1B/1D</sub> receptor agonist. Hello Bio HB1775
      Selective 5-HT<sub>1B/1D</sub> receptor agonist. Shows antimigraine activity and reduces arterial blood flow. Hello Bio HB1775

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

No predicted properties have been calculated for this compound.

Click to predict properties on the Chemicalize site


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