2-[[5-Amino-2-[[5-amino-2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoic acid

Base Information

• Chemical Name: 2-[[5-Amino-2-[[5-amino-2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoic acid
• CAS No.: 68060-49-1
• Molecular Formula: C41H65 N13 O10
• Molecular Weight: 900.048
• DSSTox Substance ID: DTXSID30391872
• Mol file: 68060-49-1.mol

Synonyms:68060-49-1;Substance P 1-7;2-[[5-amino-2-[[5-amino-2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoic acid;DTXSID30391872;AKOS037645190;AS-58201;PD087830;FT-0688063

Chemical Property of 2-[[5-Amino-2-[[5-amino-2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoic acid

Chemical Property:

• PKA: 3.49±0.10(Predicted)
• PSA: 394.44000
• Density: 1.49±0.1 g/cm3(Predicted)
• LogP: 1.91700
• Storage Temp.: −20°C
• XLogP3: -6.1
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 27
• Exact Mass: 899.49773532
• Heavy Atom Count: 64
• Complexity: 1670

Purity/Quality:

98%Min ^*data from raw suppliers

Substance P Fragment 1-7 ≥97% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(N(C1)C(=O)C(CCCN=C(N)N)N)C(=O)NC(CCCCN)C(=O)N2CCCC2C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Technology Process of 2-[[5-Amino-2-[[5-amino-2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoic acid

There total 1 articles about 2-[[5-Amino-2-[[5-amino-2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoic 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: 45.0%

substance P (33507-63-0) → L-phenylalanine (63-91-2,25191-15-5,658-69-5,67675-33-6) + substance P(1-7) fragment (68060-49-1) + chymostatin C + substance P (1-6)

Guidance literature:

With sodium hydroxide; N-2-hydroxyethylpiperazine-N'-2-ethanesulfonic acid; at 37 ℃; pH=7.4; Product distribution;

DOI:10.1021/js990149c

Reference yield:

acetic anhydride (108-24-7) + substance P(1-7) fragment (68060-49-1) → C45H67N13O11

Guidance literature:

In 1,4-dioxane; at 0 ℃; for 1h;

DOI:10.1021/ja00070a061

Reference yield:

substance P(1-7) fragment (68060-49-1) + [(5-amino-pentyl)(pyridine-2-yl-methyl)amino]-acetic acid (667911-36-6) → C54H83N15O12 (803730-09-8)

Guidance literature:

Ca⁽²⁺⁾ dependent guinea pig liver transglutaminase; at 37 ℃; for 4h; pH=6.0 - 7; Product distribution / selectivity; Enzymatic reaction;

upstream raw materials:

substance P

Downstream raw materials:

C₅₄H₈₃N₁₅O₁₂

Refernces