3,4-Dichloro-1-[3-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-2,2-dimethylpropyl]pyrrole-2,5-dione

Base Information

• Chemical Name: 3,4-Dichloro-1-[3-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-2,2-dimethylpropyl]pyrrole-2,5-dione
• CAS No.: 203115-63-3
• Molecular Formula: C13H10Cl4N2O4
• Molecular Weight: 400.0
• European Community (EC) Number: 809-054-7
• NSC Number: 617145
• ChEMBL ID: CHEMBL1968672
• Mol file: 203115-63-3.mol

Synonyms:NSC 617145

Chemical Property of 3,4-Dichloro-1-[3-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-2,2-dimethylpropyl]pyrrole-2,5-dione

Chemical Property:

• PKA: -6.03±0.60(Predicted)
• Storage Temp.: 2-8°C
• Solubility.: DMSO: soluble3mg/mL, clear (warmed)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 399.936517
• Heavy Atom Count: 23
• Complexity: 605

Purity/Quality:

99%+, ^*data from raw suppliers

NSC 617145 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(CN1C(=O)C(=C(C1=O)Cl)Cl)CN2C(=O)C(=C(C2=O)Cl)Cl
• Uses: NSC 617145 is ahelicase inhibitor used in the treatment of Werner syndrome helicase and acts synergistically with Mitomycin C (M371900), an antitumor antibiotic. It is used as antineoplastic.