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Merck
CN

S6883

Substance P acetate salt hydrate

≥95% (HPLC), NK-1 agonist, powder

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About This Item

Empirical Formula (Hill Notation):
C63H98N18O13S · xC2H4O2 · yH2O
CAS Number:
Molecular Weight:
1347.63 (anhydrous free base basis)
UNSPSC Code:
12352200
PubChem Substance ID:
NACRES:
NA.32
Beilstein/REAXYS Number:
5153552
Assay:
≥95% (HPLC)
Form:
powder
Storage condition:
(Keep container tightly closed in a dry and well-ventilated place.)
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Product Name

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

Quality Segment

assay

≥95% (HPLC)

form

powder

mol wt

1348 Da by calculation (Average Mass)

storage condition

(Keep container tightly closed in a dry and well-ventilated place.)

color

white

solubility

0.1 M acetic acid: 1 mg/mL

UniProt accession no.

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

Gene Information

human ... TAC1(6863)

General description

Research area: Cell Signaling

Substance P is a member of the tachykinin family of peptides. It is encoded by the tachykinin precursor 1 (TAC1) gene mapped to human chromosome 7q21-q22. Substance P is a small peptide produced by macrophages, lymphocytes, eosinophils, dendritic cells and nerves. It is part of the neurokinin group.

Application

Substance P acetate salt hydrate has been:

  • used as a neurokinin 1 (NK1) receptor agonist for the activation of spinal nociceptive circuitry in mice
  • administered in central nucleus (ACE) in rat to study its positive reinforcing effects
  • used in competition binding assays
  • used as an inhibitor of myosin light chain kinase in isolated lymphatic vessels from rat

Biochem/physiol Actions

Substance P has proinflammatory effects on epithelial and immune cells. It has been associated with inflammatory diseases related to gastrointestinal and respiratory systems. Substance P modulates contractility of smooth muscles, transport of ions in the epithelium, vascular permeability and immune functions in the gut.
NK-1 agonist; potent vasodilator and hypotensive agent.
NK-1 agonist; potent vasodilator and hypotensive agent; induces salivation; increases capillary permeability; induces mast cell degranulation; putative neurotransmitter in sensory (pain) afferents.


Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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Global Trade Item Number

SKUGTIN
S6883-5MG04061836959678
S6883-1.3MG-KC04061832677866
S6883-25MG04061832677880
S6883-.5MG04061832677859
S6883-10MG04061836959661
S6883-1MG04061826153277