Alinamin

Base Information

• Chemical Name: Alinamin
• CAS No.: 59-58-5
• Deprecated CAS: 114401-59-1
• Molecular Formula: C15H24N4O2S2
• Molecular Weight: 356.513
• European Community (EC) Number: 200-436-3
• NSC Number: 677470,23893
• UNII: UI32MM3XE3
• Nikkaji Number: J1.394C
• Wikipedia: Prosultiamine
• Wikidata: Q7251124
• NCI Thesaurus Code: C82256
• ChEMBL ID: CHEMBL4303344
• Mol file: 59-58-5.mol

Synonyms:Alinamin;prosultiamine;prosultiamine hydrochloride;thiamine propyl disulfide;thiamine propyldisulfide;thiamine propyldisulphide;thiaminepropyldisulfide

Chemical Property of Alinamin

Chemical Property:

• Appearance/Colour: white crystalline or crystalline powder
• Vapor Pressure: 6.07E-15mmHg at 25°C
• Melting Point: 128.5°C (rough estimate)
• Refractive Index: 1.62
• Boiling Point: 593.7 °C at 760 mmHg
• PKA: 14.43±0.10(Predicted)
• Flash Point: 312.9 °C
• PSA: 142.94000
• Density: 1.261 g/cm³
• LogP: 3.94800
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 356.13406837
• Heavy Atom Count: 23
• Complexity: 396

Purity/Quality:

99% ^*data from raw suppliers

Prosultiamine ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCSSC(=C(C)N(CC1=CN=C(N=C1N)C)C=O)CCO
• Isomeric SMILES: CCCSS/C(=C(\C)/N(CC1=CN=C(N=C1N)C)C=O)/CCO
• Recent NIPH Clinical Trials: Clinical trial aimed at new therapeutic strategy for HAM by prosultiamine treatment with oral administration

Technology Process of Alinamin

There total 7 articles about Alinamin 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:

→ thiamine propyl disulfide (59-58-5)

Guidance literature:

Thiamin-chlorid, Na-propyl-thiosulfat (Bunte Salz);

Reference yield:

propyl propylthiosulfinate (1948-52-3,133692-44-1) + Thiamine hydrochloride (67-03-8,70732-86-4) → thiamine propyl disulfide (59-58-5)

Guidance literature:

With sodium hydroxide; ethanol; water; bei pH 8;

Reference yield:

Thiamine hydrochloride (67-03-8,70732-86-4) → thiamine propyl disulfide (59-58-5)

Guidance literature:

With sodium hydroxide; water; Behandeln des Reaktionsprodukts mit wss.Natrium-<S-propyl-thiosulfat>;

upstream raw materials:

propyl propylthiosulfinate

Thiamine hydrochloride

ethanethiosulfonic acid S-propyl ester

Downstream raw materials:

N-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N-(4-benzenesulfonyloxy-1-methyl-2-propyldisulfanyl-but-1-en-t-yl)-formamide

N-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N-(4-benzoyloxy-1-methyl-2-propyldisulfanyl-but-1-en-t-yl)-formamide