(2S)-2-[(2-azaniumylacetyl)amino]-3-(1H-indol-3-yl)propanoate

Base Information

• Chemical Name: (2S)-2-[(2-azaniumylacetyl)amino]-3-(1H-indol-3-yl)propanoate
• CAS No.: 2390-74-1
• Molecular Formula: C13H15 N3 O3
• Molecular Weight: 261.28
• Hs Code.: 2933990090
• Mol file: 2390-74-1.mol

Synonyms:

Chemical Property of (2S)-2-[(2-azaniumylacetyl)amino]-3-(1H-indol-3-yl)propanoate

Chemical Property:

• Boiling Point: 621.8°Cat760mmHg
• PKA: 3.15±0.10(Predicted)
• Flash Point: 329.9°C
• PSA: 108.21000
• Density: 1.383g/cm³
• LogP: 1.32970
• Storage Temp.: -15°C
• Solubility.: almost transparency in 5mol/L HCl
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 261.11134135
• Heavy Atom Count: 19
• Complexity: 343

Purity/Quality:

98% ^*data from raw suppliers

(2S)-2-[(2-Aminoacetyl)amino]-3-(1H-indol-3-yl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])NC(=O)C[NH3+]
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])NC(=O)C[NH3+]

Technology Process of (2S)-2-[(2-azaniumylacetyl)amino]-3-(1H-indol-3-yl)propanoate

There total 8 articles about (2S)-2-[(2-azaniumylacetyl)amino]-3-(1H-indol-3-yl)propanoate 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:

9,10-dioxa-syn-(glycyl-tryptophyloxymethyl,methyl)(methyl,methyl)bimane hydrochloride → 3-(hydroxymethyl)-2,5,6-trimethylpyrazolo[1,2-a]pyrazole-1,7-dione (76421-69-7) + N-glycyl-L-tryptophan (2390-74-1)

Guidance literature:

With mercaptoethylamine hydrochloride; water; cathepsin C from bovine spleen; In dimethyl sulfoxide; at 37 ℃; Rate constant; fluorometric enzyme assay;

DOI:10.1248/cpb.38.2043

Reference yield:

9,10-dioxa-syn-(glycyl-tryptophyl-aminomethyl,methyl)(methyl,methyl)bimane p-toluenesulfonic acid → 9,10-dioxa-syn-(aminomethyl,methyl)(methyl,methyl)bimane (76421-90-4) + N-glycyl-L-tryptophan (2390-74-1)

Guidance literature:

With mercaptoethylamine hydrochloride; water; cathepsin C from bovine spleen; In dimethyl sulfoxide; at 37 ℃; Rate constant; fluorometric enzyme essay;

DOI:10.1248/cpb.38.2043

Reference yield:

9,10-dioxa-syn-(glycyl-tryptophyl-glycyl-aminomethyl, methyl)(methyl, methyl)bimane p-toluenesulfonic acid → 2-Amino-N-(2,6,7-trimethyl-3,5-dioxo-3H,5H-pyrazolo[1,2-a]pyrazol-1-ylmethyl)-acetamide (118002-57-6) + N-glycyl-L-tryptophan (2390-74-1)

Guidance literature:

With mercaptoethylamine hydrochloride; water; cathepsin C from bovine spleen; In dimethyl sulfoxide; at 37 ℃; Rate constant; fluorometric enzyme assay;

DOI:10.1248/cpb.38.2043

upstream raw materials:

N-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]-L-tryptophan

L-Tryptophan

glycine

3-[2-(2-Amino-acetylamino)-2-carboxy-ethyl]-indole-1-carboxylic acid 2,2,2-trichloro-ethyl ester

Refernces

• 1、 Sato,Matsuda,Kanaoka. "New fluorogenic substrates for microdetermination of cathepsin C". . p. 2043 - 2044. Retrieved 2007/10/02.