Neurotensin - Moligand™, ≥97% , Agonist of NTS 1 receptor;Agonist of NTS 2 receptor, CAS No.55508-42-4, Agonist of NTS 1 receptor;Agonist of NTS 2 receptor

CAS: 55508-42-4 Cat. No.: N274706 Molecular Weight: 1672.94 PubChem CID: 25077406

GRADE & PURITY Moligand™, ≥97%

Synonyms

H-Pyr-Leu-Tyr-Glu-Asn-Lys-Pro-Arg-Arg-Pro-Tyr-Ile-Leu-OH | GTPL1579 | L-pyroglutamyl-L-leucyl-L-tyrosyl-L-alpha-glutamyl-L-asparagyl-L-lysyl-L-prolyl-L-arginyl-L-arginyl-L-prolyl-L-tyrosyl-L-isoleucyl-L-leucine | Pyr-Leu-Tyr-Glu-Asn-Lys-Pro-Arg-Arg-Pro-Ty

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Sequence Shortening：Pyr-LYENKPRRPYIL

Sequence：Pyr-Leu-Tyr-Glu-Asn-Lys-Pro-Arg-Arg-Pro-Tyr-Ile-Leu；

Specifications

Synonyms

H-Pyr-Leu-Tyr-Glu-Asn-Lys-Pro-Arg-Arg-Pro-Tyr-Ile-Leu-OH | GTPL1579 | L-pyroglutamyl-L-leucyl-L-tyrosyl-L-alpha-glutamyl-L-asparagyl-L-lysyl-L-prolyl-L-arginyl-L-arginyl-L-prolyl-L-tyrosyl-L-isoleucyl-L-leucine | Pyr-Leu-Tyr-Glu-Asn-Lys-Pro-Arg-Arg-Pro-Ty

Specifications & Purity

Moligand™, ≥97%

Biochemical and Physiological Mechanisms

Endogenous neuropeptide and endocrine modulator. Elicits a variery of central and peripheral functions, including neurological, digestive and cardiovascular modulation. Capable of non-selective activation of neurotensin receptors

Storage

Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of NTS 1 receptor;Agonist of NTS 2 receptor

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one week. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504769958
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769958
• Canonical Smiles: CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC(C)C)NC(=O)C5CCC(=O)N5
• IUPAC Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-4-carboxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
• InChIKey: PCJGZPGTCUMMOT-ISULXFBGSA-N
• INCHI: 1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]5CCC(=O)N5
• Alternate CAS: 39379-15-2
• PubChem CID: 25077406
• Molecular Weight: 1672.94

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 Tyrosine and derivatives Phenylalanine and derivatives Glutamic acid and derivatives Asparagine and derivatives Isoleucine and derivatives Leucine and derivatives Proline and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Amphetamines and derivatives Pyrrolidinecarboxamides N-acylpyrrolidines 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Pyrrolidine-2-ones N-acyl amines Tertiary carboxylic acid amides Secondary carboxylic acid amides Guanidines Primary carboxylic acid amides Lactams Amino acids Azacyclic compounds Carboxylic acids Carboximidamides Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polypeptide - Alpha peptide - Tyrosine or derivatives - Phenylalanine or derivatives - Glutamic acid or derivatives - Leucine or derivatives - Isoleucine or derivatives - Asparagine or derivatives - Proline or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 2-pyrrolidone - Pyrrolidone - Fatty amide - N-acyl-amine - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Guanidine - Lactam - Primary carboxylic acid amide - Amino acid - Azacycle - Carboximidamide - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Primary amine - Organic oxygen compound - Amine - Carbonyl group - Primary aliphatic amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - 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)

NTSR1 Tchem Neurotensin receptor type 1 (0 Activities)

Discover Target: NTSR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NTSR2 Tchem Neurotensin receptor type 2 (0 Activities)

Discover Target: NTSR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NTSR2 Tchem Neurotensin receptor 2 (296 Activities)

Discover Target: NTSR2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SORT1 Tchem Neurotensin receptor 3 (102 Activities)

Discover Target: SORT1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Ntsr1 Neurotensin receptor 1 (48 Activities)

Discover Target: Ntsr1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: Moisture sensitive
• Molecular Weight: 1672.900 g/mol
• XLogP3: -3.700
• Hydrogen Bond Donor Count: 21
• Hydrogen Bond Acceptor Count: 23
• Rotatable Bond Count: 50
• Exact Mass: 1671.91 Da
• Monoisotopic Mass: 1671.91 Da
• Topological Polar Surface Area: 674.000 Ų
• Heavy Atom Count: 119
• Formal Charge: 0
• Complexity: 3530.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 14
• 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. Hongfei Li, Ji-Hong Chen, Zixian Yang, Min Huang, Yuanjie Yu, Shiyun Tan, Hesheng Luo, Jan D Huizinga.  (2016)  Neurotensin Changes Propulsive Activity into a Segmental Motor Pattern in the Rat Colon.  Journal of Neurogastroenterology and Motility,      [PMID:26882114] [10.5056/jnm15181]

2. Guihua Ruan, Zhengyi Chen, Meiping Wei, Yuhua Liu, Haiyun Li, Fuyou Du.  (2013)  The study on microwave assisted enzymatic digestion of ginkgo protein.  JOURNAL OF MOLECULAR CATALYSIS B-ENZYMATIC,      [PMID:] [10.1016/j.molcatb.2013.04.010]