Alethine

Base Information

• Chemical Name: Alethine
• CAS No.: 646-08-2
• Molecular Formula: C10H22 N4 O2 S2
• Molecular Weight: 294.442
• European Community (EC) Number: 211-465-6
• UNII: LY583605Y8
• DSSTox Substance ID: DTXSID30862355
• Nikkaji Number: J34.485K
• Wikidata: Q27095697
• NCI Thesaurus Code: C2605
• Metabolomics Workbench ID: 149566
• ChEMBL ID: CHEMBL1183627
• Mol file: 646-08-2.mol

Synonyms:alethine;alethine hydrobromide;alethine hydrochloride;beta-alanyl-cysteamine disulfide;beta-alanylcysteamine disulfide;beta-alethine;Betathine;N,N'-(dithiodiethylene)bis(3-aminopropionamide)

Chemical Property of Alethine

Chemical Property:

• PSA: 160.84000
• LogP: 1.48020
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 294.11841830
• Heavy Atom Count: 18
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

N,N'-(DITHIODIETHYLENE)BIS-[3-AMINOPROPIONAMIDE] 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CN)C(=O)NCCSSCCNC(=O)CCN
• Recent ClinicalTrials: Beta Alethine in Treating Patients With Myeloma

Technology Process of Alethine

There total 8 articles about Alethine 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:

bis-{2-[(N-benzyloxycarbonyl-β-alanyl)-amino]-ethyl}-disulfide (104071-84-3) → N-mercaptoethyl-3-aminopropionamide disulfide (646-08-2)

Guidance literature:

With ammonia; sodium;

Reference yield:

3-azido-N-{2-[2-(3-azido-propionylamino)-ethyldisulfanyl]-ethyl}-propionamide → N-mercaptoethyl-3-aminopropionamide disulfide (646-08-2)

Guidance literature:

With triphenylphosphine; In tetrahydrofuran; water; at 20 ℃;

DOI:10.1016/S0968-0896(00)00189-9

Reference yield:

β-alanine-(2-mercapto-ethylamide) (539-83-3) → N-mercaptoethyl-3-aminopropionamide disulfide (646-08-2)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide;

DOI:10.1021/ja01103a053

upstream raw materials:

β-alanine-(2-mercapto-ethylamide)

bis-{2-[(N,N-phthaloyl-β-alanyl)-amino]-ethyl}-disulfide

2-(4,5-dihydro-thiazol-2-yl)-ethylamine

N-benzyloxycarbonyl-β-alanine-(2-benzylsulfanyl-ethylamide)

Downstream raw materials:

D-pantethine

Refernces

• 1、 Shimizu,Ohta,Nagase,Okada,Hosokawa. "Investigations on pantothenic acid and its related compounds. I. Chemical studies. (1). A novel synthesis of pantethine.". . p. 180 - 188. Retrieved 2007/10/05.