4-Ala-endothelin-1

Base Information

• Chemical Name: 4-Ala-endothelin-1
• CAS No.: 121204-87-3
• Molecular Formula: C109H163 N25 O32 S
• Molecular Weight: 2367.67
• Mol file: 121204-87-3.mol

Synonyms:(Ala-1,3,11,15)ET-1;1,3,11,15-Ala-endothelin-1;1,3,11,15-alanine-endothelin 1;4-Ala-endothelin-1;4AlaET-1;endothelin 1, Ala(1,3,11,15)-;endothelin 1, alanine(1,3,11,15)-;ET-1(1,3,11,15-Ala)

Chemical Property of 4-Ala-endothelin-1

Chemical Property:

• Boiling Point: 2391.5±65.0 °C(Predicted)
• PSA: 933.93000
• Density: 1.319±0.06 g/cm3(Predicted)
• LogP: 3.78690
• Storage Temp.: −20°C
• XLogP3: -5.6
• Hydrogen Bond Donor Count: 29
• Hydrogen Bond Acceptor Count: 38
• Rotatable Bond Count: 77
• Exact Mass: 2367.1650241
• Heavy Atom Count: 167
• Complexity: 5230

Purity/Quality:

98%,99%, ^*data from raw suppliers

Endothelin 1 [Ala1,3,11,15] ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC3C=NC=N3)NC(=O)C(C)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CCC(=O)OC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(C)N)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CCSC)N)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)OC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3C=NC=N3)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)OC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)N)N
• Uses: [Ala1,3,11,15]-Endothelin 1 may be used to assess the effects of endothelin-1 and [Ala1,3,11,15]-endothelin 1 produced by ETA and ETB receptors, in the presence of BQ-123, in anaesthetized rat.