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Merck
CN

S0145

[D-Pro2, D-Trp7,9]-Substance P acetate salt

≥97% (HPLC)

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About This Item

Empirical Formula (Hill Notation):
C74H106N20O13S · xC2H4O2
Molecular Weight:
1515.82 (free base basis)
PubChem Substance ID:
24899430
UNSPSC Code:
12352200
MDL number:
MFCD00237268

Key Documents

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Product Name

[D-Pro2, D-Trp7,9]-Substance P acetate salt, ≥97% (HPLC)

InChI

1S/C74H106N20O13S.C2H4O2/c1-42(2)36-55(66(100)85-51(63(79)97)30-35-108-3)89-68(102)58(39-45-41-84-50-22-10-8-19-47(45)50)92-67(101)56(37-43-16-5-4-6-17-43)90-69(103)57(38-44-40-83-49-21-9-7-18-46(44)49)91-65(99)52(26-28-61(77)95)86-64(98)53(27-29-62(78)96)87-70(104)60-25-15-34-94(60)73(107)54(23-11-12-31-75)88-71(105)59-24-14-33-93(59)72(106)48(76)20-13-32-82-74(80)81;1-2(3)4/h4-10,16-19,21-22,40-42,48,51-60,83-84H,11-15,20,23-39,75-76H2,1-3H3,(H2,77,95)(H2,78,96)(H2,79,97)(H,85,100)(H,86,98)(H,87,104)(H,88,105)(H,89,102)(H,90,103)(H,91,99)(H,92,101)(H4,80,81,82);1H3,(H,3,4)/t48-,51-,52-,53-,54-,55-,56-,57+,58+,59+,60-;/m0./s1

SMILES string

CC(O)=O.CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCCN)NC(=O)[C@H]7CCCN7C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O

InChI key

VVOKNUZJEDEUTC-GDSHFHCJSA-N

assay

≥97% (HPLC)

storage temp.

−20°C

Biochem/physiol Actions

Substance P antagonist

Other Notes

Similar to S 4509, but produced by Sigma.

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

涉药品监管产品
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Certificates of Analysis (COA)

Lot/Batch Number
041H58103

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Analgesic effect of antagonists of substance P.
F Lembeck et al.
Biochemical and biophysical research communications, 103(4), 1318-1321 (1981-12-31)
Sara Calatayud et al.
Naunyn-Schmiedeberg's archives of pharmacology, 367(1), 51-55 (2003-03-05)
The effects of endotoxin on fecal pellet output and the neural mechanisms involved in this response were investigated in conscious rats. E. coli endotoxin (40 micro g/kg i.p.) significantly increased fecal excretion for 3 h after the injection. Water content
Ping Lin et al.
Sheng li xue bao : [Acta physiologica Sinica], 61(4), 331-338 (2009-08-25)
The aim of this study was to, from the point of neurogenic inflammation, explore the pathogenesis of colitis and to provide direct evidence for the neurogenic colitis hypothesis. Male Sprague-Dawley rats (180-220 g) anesthetized with chloral hydrate were intrathecally (ith)
A synthetic peptide as an antagonist of substance P.
G Engberg et al.
Nature, 293(5829), 222-223 (1981-09-17)
Arati Prabhu et al.
Peptides, 26(5), 875-885 (2005-04-06)
Substance P (SP) is an important neuropeptide involved in pain transmission and induction of inflammation. Its antagonists are being extensively investigated for their non-narcotic analgesic and anti-inflammatory activity. With a view towards better understanding the structural requirements of these analogs

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