Brostallicin

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	203258-60-0 N[EPA]
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL1189025
ChemSpider	5293605
DrugBank	DB06598
PubChem CID	6918408
UNII	RPC6R41K4I
CompTox Dashboard (EPA)	DTXSID70174222
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

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

References

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