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Substance P (4-11)

CAT: 0804-HY-P3891Size: 1 EachDry Ice: NoHazardous: No
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Description
Substance P (4-11), the C-terminus fragment of Substance P , is a Substance P agonist that shows highly selective for NK1 receptors[1][2].
CAS Number
53749-60-3
UNSPSC
12352209
Target
Neurokinin Receptor
Type
Peptides
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/substance-p-4-11.html
Solubility
10 mM in DMSO
Smiles
CSCC[C@@H](C(N)=O)NC([C@H](CC(C)C)NC(CNC([C@H](CC1=CC=CC=C1)NC([C@@H](NC([C@H](CCC(N)=O)NC([C@H](CCC(N)=O)NC([C@@H]2CCCN2)=O)=O)=O)CC3=CC=CC=C3)=O)=O)=O)=O
Molecular Formula
C46H67N11O10S
Molecular Weight
966.16
References & Citations
[1]D G Payan, et al. Specific stimulation of human T lymphocytes by substance P. J Immunol. 1983 Oct;131 (4) :1613-5.|[2]L Wang, et al. Substance P induces ion secretion in mouse small intestine through effects on enteric nerves and mast cells. Am J Physiol. 1995 Jul;269 (1 Pt 1) :G85-92. |[3]P Cornaglia-Ferraris, et al. Sensory neuropeptides (substance P) and 4-11 SP enhance human neutrophils chemiluminescence; the role of L-arginine. Int J Immunopharmacol. 1986;8 (4) :463-8.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Substance P (4-11)
CAS Number53749-60-3
PubChem CID171298
IUPAC Name(2S)-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-(pyrrolidine-2-carbonylamino)pentanediamide
Molecular FormulaC46H67N11O10S
Molecular Weight966.2
XLogP-0.1
Topological Polar Surface Area370
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count12
Rotatable Bond Count30
Heavy Atom Count68
Formal Charge0
Complexity1730
SMILES
CC(C)CC(C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)C3CCCN3
InChI
InChI=1S/C46H67N11O10S/c1-27(2)23-34(45(66)53-30(40(49)61)20-22-68-3)52-39(60)26-51-41(62)35(24-28-11-6-4-7-12-28)56-46(67)36(25-29-13-8-5-9-14-29)57-44(65)33(17-19-38(48)59)55-43(64)32(16-18-37(47)58)54-42(63)31-15-10-21-50-31/h4-9,11-14,27,30-36,50H,10,15-26H2,1-3H3,(H2,47,58)(H2,48,59)(H2,49,61)(H,51,62)(H,52,60)(H,53,66)(H,54,63)(H,55,64)(H,56,67)(H,57,65)/t30-,31?,32-,33-,34?,35-,36-/m0/s1
InChIKey
XVTHVTVZLLFSPI-YJPQGOKNSA-N
Chemical Structure
2D Structure
2D structure of Substance P (4-11)
CAS: 53749-60-3
CID: 171298
Formula: C46H67N11O10S
MW: 966.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight966.2
XLogP3-0.1
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count12
Rotatable Bond Count30
Exact Mass965.47930855
Monoisotopic Mass965.47930855
Topological Polar Surface Area370 Ų
Heavy Atom Count68
Formal Charge0
Complexity1730
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes