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Neuropeptide S (mouse)

CAT: 0804-HY-P1437-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P1437-01Size:1 mg
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Description
Neuropeptide S (mouse) is a bioactive peptide. Neuropeptide S (mouse), as a neurotransmitter/neuromodulator of 20 amino acids, can be used for the research of arousal, anxiety, locomotion, feeding behaviors, memory and agent addiction[1].
CAS Number
412938-74-0
UNSPSC
12352209
Target
Neuropeptide Y Receptor
Type
Peptides
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/neuropeptide-s-mouse.html
Purity
98.83
Solubility
H2O : ≥ 100 mg/mL
Smiles
NC(CC[C@@H](C(O)=O)NC([C@H](CCCCN)NC([C@H](C)NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC([C@@H](NC([C@H](CO)NC([C@H]([C@H](O)C)NC([C@H](CCCCN)NC([C@H](CCCCN)NC([C@H](C)NC(CNC([C@H](CO)NC(CNC([C@H](C(C)C)NC(CNC([C@H](CC(N)=O)NC([C@H](CCCNC(N)=N)NC([C@@H](NC([C@@H](N)CO)=O)CC1=CC=CC=C1)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CC2=CC=CC=C2)=O)=O)=O)=O)=O)=O
Molecular Formula
C93H156N34O27
Molecular Weight
2182.45
References & Citations
[1]Peng YL, et al. Effects of central neuropeptide S in the mouse formalin test. Peptides. 2010;31 (10) :1878-1883.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture)
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Neuropeptide S (Mouse)
CAS Number412938-74-0
PubChem CID54581309
IUPAC Name(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC93H156N34O27
Molecular Weight2182.4
XLogP-14.5
Topological Polar Surface Area1050
Hydrogen Bond Donor Count39
Hydrogen Bond Acceptor Count34
Rotatable Bond Count80
Heavy Atom Count154
Formal Charge0
Complexity4590
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)N)O
InChI
InChI=1S/C93H156N34O27/c1-48(2)72(126-71(136)44-109-77(140)64(41-68(99)133)124-83(146)60(30-20-38-108-93(104)105)120-85(148)62(122-76(139)54(97)45-128)39-52-21-8-6-9-22-52)88(151)111-43-70(135)114-65(46-129)78(141)110-42-69(134)112-49(3)74(137)115-55(25-12-15-33-94)80(143)117-57(27-14-17-35-96)84(147)127-73(51(5)131)89(152)125-66(47-130)87(150)123-63(40-53-23-10-7-11-24-53)86(149)119-59(29-19-37-107-92(102)103)81(144)118-58(28-18-36-106-91(100)101)79(142)113-50(4)75(138)116-56(26-13-16-34-95)82(145)121-61(90(153)154)31-32-67(98)132/h6-11,21-24,48-51,54-66,72-73,128-131H,12-20,25-47,94-97H2,1-5H3,(H2,98,132)(H2,99,133)(H,109,140)(H,110,141)(H,111,151)(H,112,134)(H,113,142)(H,114,135)(H,115,137)(H,116,138)(H,117,143)(H,118,144)(H,119,149)(H,120,148)(H,121,145)(H,122,139)(H,123,150)(H,124,146)(H,125,152)(H,126,136)(H,127,147)(H,153,154)(H4,100,101,106)(H4,102,103,107)(H4,104,105,108)/t49-,50-,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,72-,73-/m0/s1
InChIKey
XBNIXBCJICZFRR-GYDKITGDSA-N
Chemical Structure
2D Structure
2D structure of Neuropeptide S (Mouse)
CAS: 412938-74-0
CID: 54581309
Formula: C93H156N34O27
MW: 2182.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight2182.4
XLogP3-14.5
Hydrogen Bond Donor Count39
Hydrogen Bond Acceptor Count34
Rotatable Bond Count80
Exact Mass2181.1879158
Monoisotopic Mass2181.1879158
Topological Polar Surface Area1050 Ų
Heavy Atom Count154
Formal Charge0
Complexity4590
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes