Nimustine

Base Information

• Chemical Name: Nimustine
• CAS No.: 42471-28-3
• Molecular Formula: C9H13ClN6O2
• Molecular Weight: 272.694
• Hs Code.: 2933599090
• European Community (EC) Number: 255-838-1
• NSC Number: 758675
• UNII: 0S726V972K
• DSSTox Substance ID: DTXSID0045179
• Nikkaji Number: J16.443G
• Wikipedia: Nimustine
• Wikidata: Q907623
• NCI Thesaurus Code: C693
• Metabolomics Workbench ID: 153940
• ChEMBL ID: CHEMBL136737
• Mol file: 42471-28-3.mol

Synonyms:ACNU;Nimustine;NSC 245382

Chemical Property of Nimustine

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 2.72E-09mmHg at 25°C
• Melting Point: 125°C (rough estimate)
• Refractive Index: 1.5790 (estimate)
• Boiling Point: 471.6°C at 760 mmHg
• PKA: 9.58±0.46(Predicted)
• Flash Point: 239°C
• PSA: 113.57000
• Density: 1.528 g/cm³
• LogP: 1.77110
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 272.0788514
• Heavy Atom Count: 18
• Complexity: 292

Purity/Quality:

98%min ^*data from raw suppliers

NIMUSTINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=NC=C(C(=N1)N)CNC(=O)N(CCCl)N=O
• Recent ClinicalTrials: Bevacizumab and Nimustine in Patients With Recurrent High Grade Glioma
• Recent NIPH Clinical Trials: Phase II multicenter investigator initiated trial of Convection-enhanced delivery of Nimustine Hydrochloride against brainstem gliomas
• Therapeutic Function: Antitumor, Antileukemic

Technology Process of Nimustine

There total 2 articles about Nimustine 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:

1-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-3-(2-chloro-ethyl)-urea (42471-43-2) → nimustin (42471-28-3)

Guidance literature:

With sodium carbonate; sodium nitrite; In hydrogenchloride; ethanol;

Reference yield:

→ nimustin (42471-28-3)

Guidance literature:

DOI:10.1007/BF03032576

upstream raw materials:

1-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-3-(2-chloro-ethyl)-urea

Refernces

• 1、 -. "Nitrosourea derivative". . . Retrieved 2008/06/13.