Secretin (swine), 15-L-glutamic acid-16-glycine- , Secretin receptor agonist, CAS No.16158474, Secretin receptor agonist

CAS: 16158474 Cat. No.: S671139 Molecular Weight: 3039.4 PubChem CID: 16158474

Synonyms

Secretin human [INN] | A0426J905J | UNII-A0426J905J | L-Histidyl-L-seryl-L-a-aspartylglycyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-a-glutamyl-L-leucyl-L-seryl-L-arginyl-L-leucyl-L-arginyl-L-a-glutamylglycyl -L-alanyl-L-arginyl-L-leucyl-L-glutaminy

Storage

Room temperature

Specifications

Synonyms

Secretin human [INN] | A0426J905J | UNII-A0426J905J | L-Histidyl-L-seryl-L-a-aspartylglycyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-a-glutamyl-L-leucyl-L-seryl-L-arginyl-L-leucyl-L-arginyl-L-a-glutamylglycyl -L-alanyl-L-arginyl-L-leucyl-L-glutaminy

Storage

Room temperature

Action Type

AGONIST

Mechanism of action

Secretin receptor agonist

Product Properties

• ALogP: -13.1

Names and Identifiers

• Canonical Smiles: CC(C)CC(C(=O)NC(C(C)C)C(=O)N)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=
• IUPAC Name: (4S)-5-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[2-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopen
• InChIKey: OWMZNFCDEHGFEP-NFBCVYDUSA-N
• INCHI: 1S/C130H220N44O40/c1-60(2)43-81(120(208)173-100(66(13)14)103(134)191)153-95(183)54-149-106(194)77(31-35-92(132)180)159-116(204)84(46-63(7)8)166-118(206)85(47-64(9)10)164-111(199)75(29-23-41-146-129(139)140)155-113(201)79(32-36-93(133)181)160-117(205
• Isomeric SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CN=CN2)N)O
• PubChem CID: 16158474
• Molecular Weight: 3039.4

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 Arginine and derivatives Phenylalanine and derivatives Histidine and derivatives Glutamic acid and derivatives Glutamine and derivatives Aspartic acid and derivatives Leucine and derivatives Valine and derivatives N-acyl-alpha amino acids and derivatives Serine and derivatives Alpha amino acid amides Alanine and derivatives Amphetamines and derivatives Tricarboxylic acids and derivatives Imidazolyl carboxylic acids and derivatives Aralkylamines N-acyl amines Heteroaromatic compounds Amino acids Guanidines Secondary carboxylic acid amides Primary carboxylic acid amides Secondary alcohols Azacyclic compounds Carboxylic acids Carboximidamides Carbonyl compounds Hydrocarbon derivatives Imines Monoalkylamines Organic oxides Primary alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polypeptide - Alpha peptide - Phenylalanine or derivatives - Arginine or derivatives - Histidine or derivatives - Glutamine or derivatives - Glutamic acid or derivatives - Leucine or derivatives - Aspartic acid or derivatives - N-acyl-alpha amino acid or derivatives - Valine or derivatives - Alpha-amino acid amide - Serine or derivatives - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Tricarboxylic acid or derivatives - Imidazolyl carboxylic acid derivative - Aralkylamine - Fatty acyl - Fatty amide - Benzenoid - N-acyl-amine - Monocyclic benzene moiety - Imidazole - Heteroaromatic compound - Azole - Amino acid or derivatives - Amino acid - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Carboximidamide - Organooxygen compound - Primary amine - Organic oxygen compound - Carbonyl group - Primary alcohol - Hydrocarbon derivative - Primary aliphatic amine - Alcohol - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Amine - Imine - 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)

SCTR Tclin Secretin receptor (10 Activities)

Discover Target: SCTR

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

Homo sapiens (32628 Activities)

Explore this target

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

Mechanisms of Action