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Urotensin II, mouse

CAT: 0804-HY-P1483Size: 1 EachDry Ice: NoHazardous: No
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Description
Urotensin II, mouse is an endogenous ligand for the orphan G-protein-coupled receptor GPR14 or SENR. Urotensin II, mouse is a potent vasoconstrictor. Urotensin II, mouse plays a physiological role in the central nervous system[1].
CAS Number
405137-01-1
UNSPSC
12352209
Target
Urotensin Receptor
Type
Peptides
Related Pathways
GPCR/G Protein
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/Urotensin_II,_mouse.html
Solubility
H2O
Smiles
O=C([C@@H](NC([C@H](CSSC[C@H](NC([C@@H](NC([C@@H](NC1=O)CCCCN)=O)CC2=CC=C(C=C2)O)=O)C(N[C@H](C(O)=O)[C@@H](C)CC)=O)NC([C@H](CCC(O)=O)NC([C@H]3N(CCC3)C([C@H](C)NC([C@H](C)NC(CNC([C@@H](NC([C@@H]4CCC(N4)=O)=O)CC5=CN=CN5)=O)=O)=O)=O)=O)=O)=O)CC6=CC=CC=C6)N[C@H]1CC7=CNC8=CC=CC=C78
Molecular Formula
C76H100N18O19S2
Molecular Weight
1633.85
References & Citations
[1]Matsumoto Y, et al. Intracerebroventricular administration of urotensin II promotes anxiogenic-like behaviors in rodents. Neurosci Lett. 2004 Mar 25;358 (2) :99-102.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Urotensin II, mouse
CAS Number405137-01-1
PubChem CID171989722
IUPAC Name(2S,3S)-2-[[(4R,7S,10S,13S,16S,19R)-10-(4-aminobutyl)-16-benzyl-19-[[(2S)-4-carboxy-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]butanoyl]amino]-7-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-methylpentanoic acid
Molecular FormulaC76H100N18O19S2
Molecular Weight1633.9
XLogP-1.8
Topological Polar Surface Area615
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count23
Rotatable Bond Count33
Heavy Atom Count115
Formal Charge0
Complexity3410
SMILES
CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8
InChI
InChI=1S/C76H100N18O19S2/c1-5-40(2)63(76(112)113)93-73(109)58-38-115-114-37-57(91-68(104)52(25-27-62(98)99)86-74(110)59-19-13-29-94(59)75(111)42(4)83-64(100)41(3)82-61(97)36-80-65(101)56(33-46-35-78-39-81-46)90-67(103)51-24-26-60(96)84-51)72(108)88-53(30-43-14-7-6-8-15-43)69(105)89-55(32-45-34-79-49-17-10-9-16-48(45)49)71(107)85-50(18-11-12-28-77)66(102)87-54(70(106)92-58)31-44-20-22-47(95)23-21-44/h6-10,14-17,20-23,34-35,39-42,50-59,63,79,95H,5,11-13,18-19,24-33,36-38,77H2,1-4H3,(H,78,81)(H,80,101)(H,82,97)(H,83,100)(H,84,96)(H,85,107)(H,86,110)(H,87,102)(H,88,108)(H,89,105)(H,90,103)(H,91,104)(H,92,106)(H,93,109)(H,98,99)(H,112,113)/t40-,41-,42-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
InChIKey
CLCYYNXMNPDQEY-QLDMHISLSA-N
Chemical Structure
2D Structure
2D structure of Urotensin II, mouse
CAS: 405137-01-1
CID: 171989722
Formula: C76H100N18O19S2
MW: 1633.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1633.9
XLogP3-1.8
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count23
Rotatable Bond Count33
Exact Mass1632.68535538
Monoisotopic Mass1632.68535538
Topological Polar Surface Area615 Ų
Heavy Atom Count115
Formal Charge0
Complexity3410
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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