Sar9, Met (O2)11-Substance P

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Sar9, Met (O2)11-Substance P
Accession Number
DB05875
Type
Small Molecule
Groups
Investigational
Description

Sar9, Met (O2)11-Substance P is a neurokinin-1 receptor agonist. It is an analog of the naturally occurring human neuropeptide Substance P, which can be found throughout the body, including in the airways of humans and many other species.

Structure
Thumb
Synonyms
  • (Sar(9),met(O2)(11))SP
  • (Sar(9))SP sulfone
  • 9-Sar-11-met(O2)-substance P
  • 9-Sar-substance P sulfone
  • 9-Sarcosyl-11-methionine(O2)-substance P
  • Bolton hunter-9-sar-11-met(02)-substance P
  • Sarcosyl(9)-substance P sulfone
International/Other Brands
Homspera / Viprovex
Categories
UNII
8V0QAFPRXV
CAS number
110880-55-2
Weight
Average: 1393.68
Monoisotopic: 1392.733625766
Chemical Formula
C64H100N18O15S
InChI Key
OUPXSLGGCPUZJJ-SARDKLJWSA-N
InChI
InChI=1S/C64H100N18O15S/c1-38(2)34-46(57(89)74-42(54(69)86)28-33-98(4,96)97)73-53(85)37-80(3)62(94)48(36-40-18-9-6-10-19-40)79-58(90)47(35-39-16-7-5-8-17-39)78-56(88)43(24-26-51(67)83)75-55(87)44(25-27-52(68)84)76-59(91)50-23-15-32-82(50)63(95)45(21-11-12-29-65)77-60(92)49-22-14-31-81(49)61(93)41(66)20-13-30-72-64(70)71/h5-10,16-19,38,41-50H,11-15,20-37,65-66H2,1-4H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,85)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,88)(H,79,90)(H4,70,71,72)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
IUPAC Name
(2S)-2-{[(2S)-1-[(2S)-6-amino-2-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}hexanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-3-methanesulfonylpropyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)(methyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}propyl]pentanediamide
SMILES
CC(C)C[C@H](NC(=O)CN(C)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O

Pharmacology

Indication

Investigated for use/treatment in acute respiratory distress syndrome (ARDS) and viral infection.

Pharmacodynamics
Not Available
Mechanism of action

The endogenous receptor for Substance P is neurokinin 1 receptor (NK1-receptor, NK1R). Substance P has been shown to stimulate cellular growth in cell culture [2], and it was shown that Substance P could promote wound healing of non-healing ulcers in humans. [3] It has also been shown to reverse diabetes in mice.

Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
AclidiniumThe serum concentration of Aclidinium can be increased when it is combined with substance P.
BambuterolThe serum concentration of substance P can be increased when it is combined with Bambuterol.
ChloroprocaineThe serum concentration of substance P can be increased when it is combined with Chloroprocaine.
ClevidipineThe serum concentration of substance P can be increased when it is combined with Clevidipine.
CocaineThe serum concentration of substance P can be increased when it is combined with Cocaine.
DoxacuriumThe serum concentration of substance P can be increased when it is combined with Doxacurium.
DrospirenoneThe serum concentration of substance P can be increased when it is combined with Drospirenone.
EphedrineThe serum concentration of substance P can be increased when it is combined with Ephedrine.
IrinotecanThe serum concentration of substance P can be increased when it is combined with Irinotecan.
MirabegronThe serum concentration of Mirabegron can be increased when it is combined with substance P.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
  1. Grimsholm O, Rantapaa-Dahlqvist S, Dalen T, Forsgren S: Observations favouring the occurrence of local production and marked effects of bombesin/gastrin-releasing peptide in the synovial tissue of the human knee joint--comparisons with substance P and the NK-1 receptor. Neuropeptides. 2008 Apr;42(2):133-45. doi: 10.1016/j.npep.2007.12.008. [PubMed:18289674]
  2. Rothstein RD, Johnson E, Ouyang A: Substance P: mechanism of action and receptor distribution at the feline ileocecal sphincter region. Am J Physiol. 1989 Sep;257(3 Pt 1):G447-53. [PubMed:2476938]
  3. Link [Link]
External Links
PubChem Substance
347910285
ChemSpider
143685
BindingDB
50335566
ChEMBL
CHEMBL1651026
Wikipedia
Substance_P

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentSeasonal Allergic Rhinitis (SAR)1
1RecruitingTreatmentType 1 Insulin-Dependent Diabetes Mellitus1
4Not Yet RecruitingBasic ScienceHigh Blood Pressure (Hypertension)1
Not AvailableCompletedBasic ScienceEndothelium / Heart Failure1
Not AvailableCompletedBasic ScienceHeart Diseases / Vascular Diseases1
Not AvailableCompletedTreatmentHigh Blood Pressure (Hypertension) / Type 2 Diabetes Mellitus1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.04 mg/mLALOGPS
logP-0.33ALOGPS
logP-7.8ChemAxon
logS-4.5ALOGPS
pKa (Strongest Acidic)11.48ChemAxon
pKa (Strongest Basic)11.87ChemAxon
Physiological Charge3ChemAxon
Hydrogen Acceptor Count20ChemAxon
Hydrogen Donor Count15ChemAxon
Polar Surface Area541.98 Å2ChemAxon
Rotatable Bond Count42ChemAxon
Refractivity368.55 m3·mol-1ChemAxon
Polarizability144.31 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Classification
Not classified

Enzymes

Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Oxygen binding
Specific Function
Catalyzes the formation of aromatic C18 estrogens from C19 androgens.
Gene Name
CYP19A1
Uniprot ID
P11511
Uniprot Name
Aromatase
Molecular Weight
57882.48 Da
References
  1. Gobbetti A, Zerani M, Di Fiore MM, Botte V: Relationships among GnRH, substance P, prostaglandins, sex steroids and aromatase activity in the brain of the male lizard Podarcis sicula sicula during reproduction. J Reprod Fertil. 1994 Aug;101(3):523-9. [PubMed:7525952]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Substrate
General Function
Identical protein binding
Specific Function
Esterase with broad substrate specificity. Contributes to the inactivation of the neurotransmitter acetylcholine. Can degrade neurotoxic organophosphate esters.
Gene Name
BCHE
Uniprot ID
P06276
Uniprot Name
Cholinesterase
Molecular Weight
68417.575 Da
References
  1. Lockridge O: Substance P hydrolysis by human serum cholinesterase. J Neurochem. 1982 Jul;39(1):106-10. [PubMed:6177830]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Inducer
General Function
Prostaglandin-endoperoxide synthase activity
Specific Function
Converts arachidonate to prostaglandin H2 (PGH2), a committed step in prostanoid synthesis. Constitutively expressed in some tissues in physiological conditions, such as the endothelium, kidney and...
Gene Name
PTGS2
Uniprot ID
P35354
Uniprot Name
Prostaglandin G/H synthase 2
Molecular Weight
68995.625 Da
References
  1. Koon HW, Zhao D, Zhan Y, Rhee SH, Moyer MP, Pothoulakis C: Substance P stimulates cyclooxygenase-2 and prostaglandin E2 expression through JAK-STAT activation in human colonic epithelial cells. J Immunol. 2006 Apr 15;176(8):5050-9. [PubMed:16585602]
  2. Sio SW, Ang SF, Lu J, Moochhala S, Bhatia M: Substance P upregulates cyclooxygenase-2 and prostaglandin E metabolite by activating ERK1/2 and NF-kappaB in a mouse model of burn-induced remote acute lung injury. J Immunol. 2010 Nov 15;185(10):6265-76. doi: 10.4049/jimmunol.1001739. Epub 2010 Oct 6. [PubMed:20926798]
  3. Gallicchio M, Rosa AC, Benetti E, Collino M, Dianzani C, Fantozzi R: Substance P-induced cyclooxygenase-2 expression in human umbilical vein endothelial cells. Br J Pharmacol. 2006 Mar;147(6):681-9. [PubMed:16432508]

Drug created on November 18, 2007 11:28 / Updated on June 04, 2019 06:20