Adozelesin

Adozelesin
Identifiers
CAS Number	110314-48-2 ;
3D model (JSmol)	Interactive image;
ChEMBL	ChEMBL35493;
ChemSpider	317091;
KEGG	D02773;
PubChem CID	357194;
UNII	6N3M4XJR2V ;
CompTox Dashboard (EPA)	DTXSID00891354 ;
	InChI InChI=1S/C30H22N4O4/c1-15-13-31-27-22(35)11-25-30(26(15)27)12-18(30)14-34(25)29(37)21-9-17-8-19(6-7-20(17)33-21)32-28(36)24-10-16-4-2-3-5-23(16)38-24/h2-11,13,18,31,33H,12,14H2,1H3,(H,32,36) Key: BYRVKDUQDLJUBX-UHFFFAOYSA-N; InChI=1/C30H22N4O4/c1-15-13-31-27-22(35)11-25-30(26(15)27)12-18(30)14-34(25)29(37)21-9-17-8-19(6-7-20(17)33-21)32-28(36)24-10-16-4-2-3-5-23(16)38-24/h2-11,13,18,31,33H,12,14H2,1H3,(H,32,36) Key: BYRVKDUQDLJUBX-UHFFFAOYAA;
	SMILES CC1=CNC2=C1C34CC3CN(C4=CC2=O)C(=O)C5=CC6=C(N5)C=CC(=C6)NC(=O)C7=CC8=CC=CC=C8O7;
Properties
Chemical formula	C30H22N4O4
Molar mass	502.530 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

Adozelesin is an experimental antitumor drug of the duocarmycin class.^[1] It binds to and alkylates DNA, resulting in a reduction of both cellular and simian virus 40 (SV40) DNA replication which ultimately reduces the rate of cancer growth.^[2]

References

^ Wang, Y; Beerman, TA; Kowalski, D (2001). "Antitumor drug adozelesin differentially affects active and silent origins of DNA replication in yeast checkpoint kinase mutants". Cancer Research. 61 (9): 3787–94. PMID 11325853.
^ Liu, J.-S.; Kuo, S.-R.; McHugh, M. M.; Beerman, T. A.; Melendy, T. (14 January 2000). "Adozelesin Triggers DNA Damage Response Pathways and Arrests SV40 DNA Replication through Replication Protein A Inactivation". Journal of Biological Chemistry. 275 (2): 1391–1397. doi:10.1074/jbc.275.2.1391. PMID 10625690.

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[1] Wang, Y; Beerman, TA; Kowalski, D (2001). "Antitumor drug adozelesin differentially affects active and silent origins of DNA replication in yeast checkpoint kinase mutants". Cancer Research. 61 (9): 3787–94. PMID 11325853.

[2] Liu, J.-S.; Kuo, S.-R.; McHugh, M. M.; Beerman, T. A.; Melendy, T. (14 January 2000). "Adozelesin Triggers DNA Damage Response Pathways and Arrests SV40 DNA Replication through Replication Protein A Inactivation". Journal of Biological Chemistry. 275 (2): 1391–1397. doi:10.1074/jbc.275.2.1391. PMID 10625690.

[1]

[2]

Identifiers

CAS Number	110314-48-2^Y
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL35493
ChemSpider	317091
KEGG	D02773
PubChem CID	357194
UNII	6N3M4XJR2V^Y
CompTox Dashboard (EPA)	DTXSID00891354
InChI InChI=1S/C30H22N4O4/c1-15-13-31-27-22(35)11-25-30(26(15)27)12-18(30)14-34(25)29(37)21-9-17-8-19(6-7-20(17)33-21)32-28(36)24-10-16-4-2-3-5-23(16)38-24/h2-11,13,18,31,33H,12,14H2,1H3,(H,32,36) Key: BYRVKDUQDLJUBX-UHFFFAOYSA-N InChI=1/C30H22N4O4/c1-15-13-31-27-22(35)11-25-30(26(15)27)12-18(30)14-34(25)29(37)21-9-17-8-19(6-7-20(17)33-21)32-28(36)24-10-16-4-2-3-5-23(16)38-24/h2-11,13,18,31,33H,12,14H2,1H3,(H,32,36) Key: BYRVKDUQDLJUBX-UHFFFAOYAA
SMILES CC1=CNC2=C1C34CC3CN(C4=CC2=O)C(=O)C5=CC6=C(N5)C=CC(=C6)NC(=O)C7=CC8=CC=CC=C8O7
Properties
Chemical formula	C₃₀H₂₂N₄O₄
Molar mass	502.530 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