Semapimod (free base)

• CAT Number: I036204
• CAS Number: 352513-83-8
• Molecular Formula: C34H52N18O2
• Molecular Weight: 744.91
• Purity: 98%
• Synonyms: Semapimod (free base); CNI1493; CNI 1493; CNI-1493
• Solubility: Soluble in DMSO
• Appearance: Solid powder
• Storage: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
• IUPAC Name: N,N'-Bis{3,5-bis(1-(carbamimidoylhydrazono)ethyl)phenyl}decanediamide
• InChI: InChI=1S/C34H52N18O2/c1-19(45-49-31(35)36)23-13-24(20(2)46-50-32(37)38)16-27(15-23)43-29(53)11-9-7-5-6-8-10-12-30(54)44-28-17-25(21(3)47-51-33(39)40)14-26(18-28)22(4)48-52-34(41)42/h13-18H,5-12H2,1-4H3,(H,43,53)(H,44,54)(H4,35,36,49)(H4,37,38,50)(H4,39,40,51)(H4,41,42,52)/b45-19+,46-20+,47-21+,48-22+
• InChIKey: PWDYHMBTPGXCSN-VCBMUGGBSA-N
• SMILES: O=C(NC1=CC(/C(C)=N/NC(N)=N)=CC(/C(C)=N/NC(N)=N)=C1)CCCCCCCCC(NC2=CC(/C(C)=N/NC(N)=N)=CC(/C(C)=N/NC(N)=N)=C2)=O

Semapimod (free base) (Cat.No:I036204) is a macrophage-deactivating agent used to treat experimental autoimmune encephalomyelitis in mice; a tetravalent guanylhydrazone.

Reference

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