Brostallicin

Brostallicin is a chemical compound being studied in the treatment of cancer. It is an alkylating agent that binds DNA.[1]

Brostallicin
Names
IUPAC name
4-[(2-Bromoacryloyl)amino]-N-{5-[(5-{[5-({2-[(diaminomethylene)amino]ethyl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}-1-methyl-1H-pyrrole-2-carboxamide
Identifiers
CAS Number
3D model (JSmol)
ChEMBL
ChemSpider
DrugBank
PubChem CID
UNII
InChI
  • InChI=1S/C30H35BrN12O5/c1-16(31)25(44)36-17-9-22(41(3)12-17)27(46)38-19-11-24(43(5)14-19)29(48)39-20-10-23(42(4)15-20)28(47)37-18-8-21(40(2)13-18)26(45)34-6-7-35-30(32)33/h8-15H,1,6-7H2,2-5H3,(H,34,45)(H,36,44)(H,37,47)(H,38,46)(H,39,48)(H4,32,33,35)
    Key: RXOVOXFAAGIKDQ-UHFFFAOYSA-N
  • InChI=1/C30H35BrN12O5/c1-16(31)25(44)36-17-9-22(41(3)12-17)27(46)38-19-11-24(43(5)14-19)29(48)39-20-10-23(42(4)15-20)28(47)37-18-8-21(40(2)13-18)26(45)34-6-7-35-30(32)33/h8-15H,1,6-7H2,2-5H3,(H,34,45)(H,36,44)(H,37,47)(H,38,46)(H,39,48)(H4,32,33,35)
    Key: RXOVOXFAAGIKDQ-UHFFFAOYAF
SMILES
  • CN1C=C(C=C1C(=O)NCCN=C(N)N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)C(=C)Br
Properties
Chemical formula
 C30H35BrN12O5
Molar mass 723.593 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

References
  1. Brostallicin entry in the NCI Dictionary of Cancer Terms

 This article incorporates public domain material from Dictionary of Cancer Terms. U.S. National Cancer Institute.

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