Npi-methyl-L-histidine

Base Information

• Chemical Name: Npi-methyl-L-histidine
• CAS No.: 368-16-1
• Molecular Formula: C7H11N3O2
• Molecular Weight: 169.183
• Mol file: 368-16-1.mol

Synonyms:Npi-methyl-L-histidine;1-methyl-L-histidine zwitterion;CHEBI:143076;N(pros)-methyl-L-histidine zwitterion

Chemical Property of Npi-methyl-L-histidine

Chemical Property:

• Vapor Pressure: 1.25E-07mmHg at 25°C
• Melting Point: 248～252℃
• Refractive Index: 1.613
• Boiling Point: 415 °C at 760 mmHg
• PKA: 2.04±0.10(Predicted)
• Flash Point: 204.8 °C
• PSA: 90.37000
• Density: 1.37 g/cm³
• LogP: 0.01050
• Storage Temp.: Store at RT.
• XLogP3: -2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 169.085126602
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

99%, ^*data from raw suppliers

3-N-Methyl-L-histidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1C=NC=C1CC(C(=O)[O-])[NH3+]
• Isomeric SMILES: CN1C=NC=C1C[C@@H](C(=O)[O-])[NH3+]
• Uses: 3-Methyl-L-histidine is a potential compound to be used as a treatment with pharmacological PPARα agonists to stimulate the ubiquitin proteasome pathway and myofibrillar protein breakdown in skeleta l muscle of rodents.

Technology Process of Npi-methyl-L-histidine

There total 35 articles about Npi-methyl-L-histidine 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: 87.0%

3-methyl-5-(phenylthio)-L-histidine (141524-71-2) → 3-methyl-L-histidine (368-16-1)

Guidance literature:

With water; nickel; In ethanol; for 8h; Heating;

DOI:10.1248/cpb.42.1784

Reference yield: 83.0%

3-methyl-5-(1-naphthalenylthio)-L-histidine (141524-84-7) → 3-methyl-L-histidine (368-16-1)

Guidance literature:

With water; nickel; In ethanol; for 8h; Heating;

DOI:10.1248/cpb.42.1784

Reference yield:

acetylamino-(3-methyl-3H-imidazol-4-ylmethyl)-malonic acid diethyl ester → 3-methylhistidine (368-16-1,7212-31-9,13146-97-9)

Guidance literature:

With hydrogenchloride; water;

DOI:10.1021/ja01175a062

upstream raw materials:

L-histidine

methyl iodide

N^α,N^α-phthaloyl-L-histidine-methyl ester

trimethoxonium tetrafluoroborate

Downstream raw materials:

L-anserine

N-acetyl-N³-methyl-L-histidine

(S)-3-(3-Methyl-3H-imidazol-4-yl)-2-(trityl-amino)-propionic acid

Refernces

• 1、 Parac, Tatjana N.,Ullmann, G. Matthias,Kosti?, Nenad M.. "New regioselectivity in the cleavage of histidine-containing peptides by palladium(II) complexes studied by kinetic experiments and molecular dynamics simulations". . p. 3127 - 3135. Retrieved 2007/10/03.
• 2、 Burgoyne,Miao,Pathirana,Andersen,Ayer,Singer,Kokke,Ross. "The structure and partial synthesis of imbricatine, a benzyltetrahydroisoquinoline alkaloid from the starfish Dermasterias imbricata". . p. 20 - 27. Retrieved 2007/10/02.