BAM (8-22) (Bovine Adrenal Medulla 8-22) - Moligand™, ≥95% , Agonist of MRGPRX1, CAS No.412961-36-5, Agonist of MRGPRX1

CAS: 412961-36-5 Cat. No.: B275334 Molecular Weight: 1971.22 PubChem CID: 16158367

GRADE & PURITY Moligand™, ≥95%

Synonyms

BAM (8-22)

Storage

Store at -20°C,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.

Specifications

Synonyms

BAM (8-22)

Specifications & Purity

Moligand™, ≥95%

Biochemical and Physiological Mechanisms

Endogenous peptide fragment that is a selective agonist for the sensory neuron specific receptor (EC 50 values are 28 and 14 nM for SNSR3 and SNSR4, respectively). Inhibits development of morphine tolerance in rats, and exerts spinal analgesic effects by

Storage

Store at -20°C, 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 MRGPRX1

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

≥95%

Names and Identifiers

• Canonical Smiles: CC(C)C(C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC6=CC=C(C=C6)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)NCC(=O)O)N
• IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-5-carbamimidamido-1-[[(2S)-1-(carboxymethylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
• InChIKey: GOEYECACIBFJGZ-NPAGUKBMSA-N
• INCHI: 1S/C91H127N25O23S/c1-48(2)76(94)88(138)103-46-72(120)105-64(19-11-36-100-91(97)98)89(139)116-37-12-20-70(116)87(137)110-62(30-32-73(121)122)81(131)113-68(42-52-45-102-58-16-7-5-14-56(52)58)85(135)114-67(41-51-44-101-57-15-6-4-13-55(51)57)84(134)109-63(33-38-140-3)82(132)115-69(43-74(123)124)86(136)112-66(40-50-23-27-54(118)28-24-50)83(133)108-61(29-31-71(93)119)80(130)106-59(17-8-9-34-92)78(128)107-60(18-10-35-99-90(95)96)79(129)111-65(77(127)104-47-75(125)126)39-49-21-25-53(117)26-22-49/h4-7,13-16,21-28,44-45,48,59-70,76,101-102,117-118H,8-12,17-20,29-43,46-47,92,94H2,1-3H3,(H2,93,119)(H,103,138)(H,104,127)(H,105,120)(H,106,130)(H,107,128)(H,108,133)(H,109,134)(H,110,137)(H,111,129)(H,112,136)(H,113,131)(H,114,135)(H,115,132)(H,121,122)(H,123,124)(H,125,126)(H4,95,96,99)(H4,97,98,100)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,76-/m0/s1
• Isomeric SMILES: CC(C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)NCC(=O)O)N
• PubChem CID: 16158367
• Molecular Weight: 1971.22

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 Arginine and derivatives Phenylalanine and derivatives Glutamic acid and derivatives Glutamine and derivatives Aspartic acid and derivatives Methionine and derivatives Valine and derivatives N-acyl-alpha amino acids Proline and derivatives Alpha amino acid amides Tryptamines and derivatives 3-alkylindoles Amphetamines and derivatives Tricarboxylic acids and derivatives Pyrrolidinecarboxamides N-acylpyrrolidines 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles N-acyl amines Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Primary carboxylic acid amides Guanidines Dialkylthioethers Carboxylic acids Carboximidamides Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Imines Monoalkylamines Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Polypeptide - Alpha peptide - Tyrosine or derivatives - Phenylalanine or derivatives - Arginine or derivatives - Glutamine or derivatives - Glutamic acid or derivatives - Aspartic acid or derivatives - Methionine or derivatives - Valine or derivatives - Proline or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Triptan - Alpha-amino acid amide - Amphetamine or derivatives - 3-alkylindole - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Indole - Indole or derivatives - Tricarboxylic acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acyl - Monocyclic benzene moiety - Fatty amide - Substituted pyrrole - N-acyl-amine - Benzenoid - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Amino acid - Primary carboxylic acid amide - Dialkylthioether - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Thioether - Carboximidamide - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Primary amine - Imine - Organic nitrogen compound - Amine - Primary aliphatic amine - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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)

MRGPRX1 Tchem Mas-related G-protein coupled receptor member X1 (0 Activities)

Discover Target: MRGPRX1

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water
• Molecular Weight: 1971.200 g/mol
• XLogP3: -6.200
• Hydrogen Bond Donor Count: 29
• Hydrogen Bond Acceptor Count: 28
• Rotatable Bond Count: 62
• Exact Mass: 1969.93 Da
• Monoisotopic Mass: 1969.93 Da
• Topological Polar Surface Area: 827.000 Ų
• Heavy Atom Count: 140
• Formal Charge: 0
• Complexity: 4200.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 13
• 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