Endothelin-1

Base Information

• Chemical Name: Endothelin-1
• CAS No.: 117399-94-7
• Deprecated CAS: 124861-00-3
• Molecular Formula: C109H159N25O32S5
• Molecular Weight: 2491.9
• Hs Code.: 2937190000
• ChEMBL ID: CHEMBL3775234
• Mol file: 117399-94-7.mol

Synonyms:Big Endothelin;Big Endothelin 1;Big Endothelin-1;Endothelin 1;Endothelin Type 1;Endothelin, Big;Endothelin-1;Endothelin-1, Big;Precursor, Proendothelin-1;Preproendothelin;Preproendothelin 1;Preproendothelin-1;Proendothelin (1-38);Proendothelin 1 Precursor;Proendothelin-1 Precursor

Chemical Property of Endothelin-1

Chemical Property:

• Appearance/Colour: white powder
• Boiling Point: 2467.3±65.0 °C(Predicted)
• PSA: 1035.13000
• Density: 1.273±0.06 g/cm3(Predicted)
• LogP: 3.62790
• Storage Temp.: −20°C
• Solubility.: 1% acetic acid: >1 mg/mL
• Water Solubility.: Soluble in water.
• XLogP3: -3.7
• Hydrogen Bond Donor Count: 32
• Hydrogen Bond Acceptor Count: 40
• Rotatable Bond Count: 47
• Exact Mass: 2491.0220087
• Heavy Atom Count: 171
• Complexity: 5300

Purity/Quality:

99% ^*data from raw suppliers

Endothelin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC3=CN=CN3)NC(=O)C4CSSCC(C(=O)NC(C(=O)NC5CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4)CC6=CC=CC=C6)CC7=CC=C(C=C7)O)C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC5=O)CO)CO)CC(C)C)CCSC)CC(=O)O)CCCCN)CCC(=O)O)CO)N
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@@H]4CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H]5CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)CC6=CC=CC=C6)CC7=CC=C(C=C7)O)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC5=O)CO)CO)CC(C)C)CCSC)CC(=O)O)CCCCN)CCC(=O)O)CO)N
• Recent ClinicalTrials: Prenatal Aspirin and Postpartum Vascular Function
• Recent EU Clinical Trials: Role of endothelin- and nitric oxide-system in the regulation of optic nerve head blood flow during changes in ocular perfusion pressure
• Description: Endothelin 1 (ET-1) is an active peptide with strong vasoconstriction effect isolated from the supernatant of cultured porcine aortic endothelial cells. Endothelin 1 has been shown to be present in many mammals, including humans. Although vascular endothelial cells are the main source of endothelin 1, cardiomyocytes, vascular smooth muscle cells, renal tubular epithelial cells and glial cells can all produce endothelin 1, suggesting that endothelin 1 can independently participate in the complex regulatory mechanism of various organs.
• Uses: Endothelin 1 has been used for coating wells in polystyrene ELISA plates. Potent agonist for ETA and ETB endothelia receptors. Induces the production of hypoxia-inducible factor 1α, and, thus, the production of VEGF.
• Biological Functions: Endothelins are a family of vasoactive peptides secreted by endothelial cells. The three major endothelin peptides are all composed of 21 amino acids. Endothelins are the most potent vasoconstrictors known. Contraction of vascular smooth muscle in response to endothelin is associated with an increase in intracellular calcium. Increases in endothelin levels have been reported in patients with vasospastic, hypoxic, and ischemic diseases.The two identified isoforms of endothelin receptors have differing affinity for the three endothelin peptides. Selective and nonselective endothelin receptor antagonists are in development for potential use in the treatment of hypertension and other disorders associated with increased vascular resistance.