(2S)-2-[(2R)-2-[(2S)-2-{2-[(2S,3R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-(C-hydroxycarbonimidoyl)propanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-hydroxybutanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanimidic acid

Base Information

• Chemical Name: (2S)-2-[(2R)-2-[(2S)-2-{2-[(2S,3R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-(C-hydroxycarbonimidoyl)propanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-hydroxybutanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanimidic acid
• CAS No.: 87096-84-2
• Molecular Formula: C52H73 N15 O12 S
• Molecular Weight: 1132.31
• Metabolomics Workbench ID: 42165
• Mol file: 87096-84-2.mol

Synonyms:Gly-Asn-Leu-Trp-Ala-Thr-Gly-His-Phe-Met-NH2;glycyl-arginyl-leucyl-tryptophyl-alanyl-threonyl-glycyl-histidyl-phenylalanyl-methioninamide;neuromedin B

Chemical Property of (2S)-2-[(2R)-2-[(2S)-2-{2-[(2S,3R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-(C-hydroxycarbonimidoyl)propanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-hydroxybutanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanimidic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1697.4 ºC
• Flash Point: 980.3 ºC
• PSA: 464.10000
• Density: 1.337 g/cm³
• LogP: 2.05180
• Storage Temp.: −20°C
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 33
• Exact Mass: 1131.52838400
• Heavy Atom Count: 80
• Complexity: 2140

Purity/Quality:

98%,99%, ^*data from raw suppliers

Neuromedin B ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CC3=CN=CN3)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC(=O)N)NC(=O)CN
• Isomeric SMILES: C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@@H](C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)N)NC(=O)CN)O
• Biological functions: NMB regulates smooth muscle contraction, exocrine and endocrine secretions, body temperature, food intake, energy homeostasis, grooming and scratching (itch perception), nociception, anxiety, sighing, locomotion, and cell growth. The contractile effect of NMB is found to be more potent than that of GRP in the rat urinary bladder and esophagus.
• Description: NMB is distributed in the central nervous system as well as the gastrointestinal tract, and has many regulatory functions in physiology such as exocrine and endocrine secretions, smooth muscle contraction, feeding, energy homeostasis, body temperature, nociception, itch perception, anxiety, sighing, and cell growth.
• Uses: Neuromedin B, porcine is an endogenous activator for the NMBR (neuromedin B receptor).

Technology Process of (2S)-2-[(2R)-2-[(2S)-2-{2-[(2S,3R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-(C-hydroxycarbonimidoyl)propanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-hydroxybutanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanimidic acid

There total 1 articles about (2S)-2-[(2R)-2-[(2S)-2-{2-[(2S,3R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-(C-hydroxycarbonimidoyl)propanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-hydroxybutanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanimidic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ Neuromedin B (Pig) (87096-84-2)

Guidance literature:

With piperidine; trimethylsilyl bromide; methyl-phenyl-thioether; trifluoroacetic acid; Yield given. Multistep reaction; 1.) DMF, 2.) 0 deg C, 60 min;

DOI:10.1039/c39880000382

Reference yield:

(E)-(2-cyclohexylvinyl)boronic acid (57002-01-4,37490-33-8) + Neuromedin B (Pig) (87096-84-2) → C60H85N15O12S

Guidance literature:

With copper diacetate; In dimethyl sulfoxide; at 20 ℃; pH=7.4;

DOI:10.1021/jacs.6b03390

Reference yield:

9-oxyl-9-azabicyclo<3.3.1>nonan-3-one (7123-92-4) + Neuromedin B (Pig) (87096-84-2) → C60H86N16O15S + C60H84N16O14S

Guidance literature:

With acetic acid; sodium nitrite; In water; acetonitrile; at 20 ℃; for 0.5h; Overall yield = 95 %Chromat.;

DOI:10.1021/jacs.6b06692

Refernces