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85965 Sigma-Aldrich

Substance P acetate salt hydrate

PeptiSelect, ≥98.0% (HPCE)

  • CAS Number 137348-11-9 (anhydrous)

  • Empirical Formula (Hill Notation) C63H98N18O13S · xC2H4O2 · yH2O

  • Molecular Weight 1347.63 (anhydrous free base basis)

  •  Beilstein/REAXYS Number 5153552

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Properties

grade   PeptiSelect
assay   ≥98.0% (HPCE)
storage temp.   −20°C
SMILES string   [H]O[H].CC(O)=O.CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
InChI   1S/C63H98N18O13S.C2H4O2.H2O/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70;1-2(3)4;/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71);1H3,(H,3,4);1H2/t40-,41-,42-,43-,44-,45-,46?,47-,48-,49-;;/m0../s1
InChI key   VHKFRLDSEZYWAC-CIYRQLMPSA-N

Description

Amino Acid Sequence

Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2

Application

Standard for MALDI-MS

Biochem/physiol Actions

NK-1 agonist; potent vasodilator and hypotensive agent; induces salivation; increases capillary permeability; induces mast cell degranulation; putative neurotransmitter in sensory (pain) afferents.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Other Notes

Reviews

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
3

Documents

Certificate of Analysis (COA)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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S6883 Substance P acetate salt hydrate, ≥95% (HPLC), powder

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