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Sarafotoxin S6c

CAT: 0804-HY-102029-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-102029-01Size:1 mg
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Description
Sarafotoxin S6c (SRTX-c) is a potent endothelin-B receptor agonist. Sarafotoxin S6c can cause vasoconstriction in both endothelium-intact and endothelium-denuded vessels[1].
CAS Number
121695-87-2
Product Name Alternative
SRTX-c
UNSPSC
12352209
Hazard Statement
H300+H330
Target
Endothelin Receptor
Type
Peptides
Related Pathways
GPCR/G Protein
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/sarafotoxin-s6c.html
Purity
98.19
Solubility
10 mM in DMSO
Smiles
O=C([C@H]1NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@]2([H])NC([C@@H](NC([C@@H](NC([C@@H](NC([C@](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@](CSSC2)([H])NC([C@](NC([C@H](CSSC1)N)=O)([H])[C@H](O)C)=O)=O)CC(N)=O)=O)CC(O)=O)=O)CCSC)=O)([H])[C@H](O)C)=O)CC(O)=O)=O)CCC(O)=O)=O)CCC(O)=O)=O)=O)CC(C)C)=O)CC(N)=O)=O)CC3=CC=CC=C3)=O)N[C@@H](CC4=CN=CN4)C(N[C@@H](CCC(N)=O)C(N[C@@H](CC(O)=O)C(N[C@@H](C(C)C)C(N[C@@H]([C@@H](C)CC)C(N[C@H](C(O)=O)CC5=CNC6=CC=CC=C56)=O)=O)=O)=O)=O
Molecular Formula
C103H147N27O37S5
Molecular Weight
2515.75
Precautions
H300+H330
References & Citations
[1]MacLean MR, et al. Effects of pulmonary hypertension on vasoconstrictor responses to endothelin-1 and sarafotoxin S6C and on inherent tone in rat pulmonary arteries. J Cardiovasc Pharmacol. 1995 Nov;26 (5) :822-30.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture and light, under nitrogen)
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Sarafotoxin S 6c
CAS Number121695-87-2
PubChem CID16132429
IUPAC Name3-[[5-amino-2-[[2-[[31-amino-22,42-bis(2-amino-2-oxoethyl)-39-benzyl-4,7-bis(2-carboxyethyl)-10,19-bis(carboxymethyl)-13,28-bis(1-hydroxyethyl)-45-(2-methylpropyl)-16-(2-methylsulfanylethyl)-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecazabicyclo[23.22.4]henpentacontane-36-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-4-[[1-[[1-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Molecular FormulaC103H147N27O37S5
Molecular Weight2515.8
XLogP-9.3
Topological Polar Surface Area1170
Hydrogen Bond Donor Count34
Hydrogen Bond Acceptor Count44
Rotatable Bond Count48
Heavy Atom Count172
Formal Charge0
Complexity5630
SMILES
CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)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)CC(=O)N)CC(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)CC(=O)N)CC(=O)O)CCSC)C(C)O)CC(=O)O)CCC(=O)O)CCC(=O)O)C(C)O)N
InChI
InChI=1S/C103H147N27O37S5/c1-10-46(6)80(100(163)123-67(103(166)167)30-50-37-109-54-19-15-14-18-52(50)54)128-99(162)79(45(4)5)127-95(158)66(36-78(144)145)120-85(148)55(20-23-71(105)133)112-90(153)61(31-51-38-108-43-110-51)117-97(160)69-40-170-169-39-53(104)83(146)129-81(47(7)131)102(165)126-70-42-172-171-41-68(96(159)115-59(28-44(2)3)88(151)118-62(32-72(106)134)91(154)116-60(89(152)125-69)29-49-16-12-11-13-17-49)124-86(149)57(22-25-75(138)139)111-84(147)56(21-24-74(136)137)113-94(157)65(35-77(142)143)122-101(164)82(48(8)132)130-87(150)58(26-27-168-9)114-93(156)64(34-76(140)141)121-92(155)63(33-73(107)135)119-98(70)161/h11-19,37-38,43-48,53,55-70,79-82,109,131-132H,10,20-36,39-42,104H2,1-9H3,(H2,105,133)(H2,106,134)(H2,107,135)(H,108,110)(H,111,147)(H,112,153)(H,113,157)(H,114,156)(H,115,159)(H,116,154)(H,117,160)(H,118,151)(H,119,161)(H,120,148)(H,121,155)(H,122,164)(H,123,163)(H,124,149)(H,125,152)(H,126,165)(H,127,158)(H,128,162)(H,129,146)(H,130,150)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H,144,145)(H,166,167)
InChIKey
LXPHPKVWHQLBBA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sarafotoxin S 6c
CAS: 121695-87-2
CID: 16132429
Formula: C103H147N27O37S5
MW: 2515.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2515.8
XLogP3-9.3
Hydrogen Bond Donor Count34
Hydrogen Bond Acceptor Count44
Rotatable Bond Count48
Exact Mass2514.9088294
Monoisotopic Mass2513.9054746
Topological Polar Surface Area1170 Ų
Heavy Atom Count172
Formal Charge0
Complexity5630
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count24
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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