Nitrocaphane

• CAT Number: I008305
• CAS Number: 54940-95-3
• Molecular Formula: C14H19Cl2N3O4
• Molecular Weight: 364.22
• Purity: ≥95%
• Synonyms: AT-1258; AT1258; AT 1258; Nitrocaphane;(S)-2-amino-3-(2-((bis(2-chloroethyl)amino)methyl)-5-nitrophenyl)propanoic acid
• Solubility: Soluble in DMSO, not in water
• Storage: -20°C
• IUPAC Name: 2-amino-3-[2-[bis(2-chloroethyl)aminomethyl]-5-nitrophenyl]propanoic acid
• InChI: InChI=1S/C14H19Cl2N3O4/c15-3-5-18(6-4-16)9-10-1-2-12(19(22)23)7-11(10)8-13(17)14(20)21/h1-2,7,13H,3-6,8-9,17H2,(H,20,21)
• InChIKey: VEBTZMUIBMIPCD-UHFFFAOYSA-N
• SMILES: C1=CC(=C(C=C1[N+](=O)[O-])CC(C(=O)O)N)CN(CCCl)CCCl

Nitrocaphane（Cat No.:I008305）is a synthetic organic compound that belongs to a class of nitroaromatic chemicals. It has been explored for its potential pharmacological properties, particularly in cancer research, due to its ability to modulate specific cellular pathways and disrupt the growth of cancer cells. Nitrocaphane is believed to exert its effects by interfering with DNA synthesis and cell division, leading to apoptosis in malignant cells. However, research on nitrocaphane is still in the early stages, and more studies are needed to fully understand its mechanism of action and therapeutic potential in oncology and other diseases.