Substance P TFA - ≥99% , CAS No.148470-19-3

CAS: 148470-19-3 Cat. No.: S651155 Molecular Weight: 1347.6 PubChem CID: 36511

GRADE & PURITY ≥99%

Synonyms

AS-77493 | Substance p (1-11) | Substanz-P | [125I]SP (human, mouse, rat) | [3H]-SP | Neurokinin P TFA | BDBM50001450 | Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2.(Substance P) | CCRIS 7229 | Neurokinin-1 | Neurokinin PNeurokinin P | Arg-Pro-Lys-Pro-

Storage

Argon charged,Desiccated,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Substance P TFA (Neurokinin P TFA) is a neuropeptide, acting as a neurotransmitter and as a neuromodulator in the CNS. The endogenous receptor for substance P is neurokinin 1 receptor ( NK1-receptor , NK1R )

In Vitro

The neuropeptide substance P (SP) that are mediated by the neurokinin 1 receptor (NK1-R) desensitize and resensitize, which may be associated with NK1-R endocytosis and recycling. SP and the NK1-R are internalized into the same clathrin immunoreactive vesicles, and then sorted into different compartments. SP is intact at the cell surface and in early endosomes, but slowly degraded in perinuclear vesicles. SP induces clathrin-dependent internalization of the NK1-R. The SP/NK1-R complex dissociates in acidified endosomes. SP is degraded, whereas the NK1-R recycles to the cell surface. SP induces internalization of the NK1-R both in transfected epithelial cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:NK1 Human Endogenous Metabolite

Specifications

Synonyms

AS-77493 | Substance p (1-11) | Substanz-P | [125I]SP (human, mouse, rat) | [3H]-SP | Neurokinin P TFA | BDBM50001450 | Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2.(Substance P) | CCRIS 7229 | Neurokinin-1 | Neurokinin PNeurokinin P | Arg-Pro-Lys-Pro-

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Substance P TFA (Neurokinin P TFA) is a neuropeptide, acting as a neurotransmitter and as a neuromodulator in the CNS. The endogenous receptor for substance P is neurokinin 1 receptor ( NK1-receptor , NK1R ).

Storage

Argon charged, Desiccated, Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C4CCCN4C(=O)C(CCCN=C(N)N)N
• IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-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]pentanediamide
• InChIKey: ADNPLDHMAVUMIW-CUZNLEPHSA-N
• INCHI: 1S/C63H98N18O13S/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/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)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
• Isomeric SMILES: CC(C)C[C@@H](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)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)N
• PubChem CID: 36511
• Molecular Weight: 1347.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic Polymers
    • Class Polypeptides

• Kingdom: Organic compounds
• Superclass: Organic Polymers
• Class: Polypeptides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polypeptides
• Alternative Parents: Peptides Phenylalanine and derivatives Glutamine and derivatives Leucine and derivatives Methionine and derivatives N-acyl-alpha amino acids and derivatives Proline and derivatives Alpha amino acid amides Amphetamines and derivatives Pyrrolidinecarboxamides N-acylpyrrolidines N-acyl amines Tertiary carboxylic acid amides Primary carboxylic acid amides Guanidines Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Dialkylthioethers Sulfenyl compounds Carbonyl compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polypeptide - Alpha peptide - Phenylalanine or derivatives - Glutamine or derivatives - Leucine or derivatives - Methionine or derivatives - Proline or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Benzenoid - Fatty acyl - Pyrrolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Guanidine - Primary carboxylic acid amide - Secondary carboxylic acid amide - Thioether - Carboximidamide - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Primary aliphatic amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

OPRM1 Tclin Mu opioid receptor (19785 Activities)

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OPRD1 Tclin Delta opioid receptor (15096 Activities)

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TACR1 Tclin Neurokinin 1 receptor (6273 Activities)

Discover Target: TACR1

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TACR2 Tchem Neurokinin 2 receptor (3341 Activities)

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TACR3 Tchem Neurokinin 3 receptor (1696 Activities)

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GHSR Tclin Ghrelin receptor (6229 Activities)

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MCF7 (126967 Activities)

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MDA-MB-231 (73002 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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ADORA1 Tclin Adenosine receptor (26 Activities)

Discover Target: ADORA1

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Associated Targets(non-human)

Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

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Hdac6 Histone deacetylase 6 (222 Activities)

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Cavia porcellus (23802 Activities)

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Canis familiaris (36305 Activities)

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Oryctolagus cuniculus (11301 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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CHO (4503 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Plasma (328 Activities)

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Ileum (29 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: H2O : 100 mg/mL (68.42 mM; Need ultrasonic)
• Molecular Weight: 1347.600 g/mol
• XLogP3: -2.300
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 42
• Exact Mass: 1346.73 Da
• Monoisotopic Mass: 1346.73 Da
• Topological Polar Surface Area: 544.000 Ų
• Heavy Atom Count: 95
• Formal Charge: 0
• Complexity: 2620.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Cheng Wang, Yajing Hou, Shuai Ge, Jiayu Lu, Xiangjun Wang, Yuexin Lv, Nan Wang, Huaizhen He.  (2022)  Synthetic imperatorin derivatives alleviate allergic reactions via mast cells.  BIOMEDICINE & PHARMACOTHERAPY,      [PMID:35483187] [10.1016/j.biopha.2022.112982]

2. Nan Wang, Jue Wang, Yongjing Zhang, Shiling Hu, Tianxiao Zhang, Yuanyuan Wu, Xiuzhen Sun, Tao Zhang, Shuanying Yang, Langchong He.  (2021)  Substance P-induced lung inflammation in mice is mast cell dependent.  CLINICAL AND EXPERIMENTAL ALLERGY,  52  (1): (46-58).  [PMID:33999474] [10.1111/cea.13902]

3. Nan Wang, Jue Wang, Yongjing Zhang, Yingnan Zeng, Shiling Hu, Haoyun Bai, Yajing Hou, Cheng Wang, Huaizhen He, Langchong He.  (2020)  Imperatorin ameliorates mast cell-mediated allergic airway inflammation by inhibiting MRGPRX2 and CamKII/ERK signaling pathway.  BIOCHEMICAL PHARMACOLOGY,      [PMID:33387483] [10.1016/j.bcp.2020.114401]