17-Dimethylaminoethylamino-17-demethoxygeldanamycin

17-Dimethylaminoethylamino-17-demethoxygeldanamycin
	File:17-(dimethylaminoethylamino)-17-demethoxygeldanamycin.png
Names
	Preferred IUPAC name (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-{[(Dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
	Other names 17-DMAG; Alvespimycin
Identifiers
CAS Number	467214-20-6 check[FDA];
3D model (JSmol)	Interactive image; Interactive image;
ChEBI	CHEBI:65324 ☒;
ChEMBL	ChEMBL383824 check;
ChemSpider	16744073 check;
ECHA InfoCard	Lua error in Module:Wikidata at line 880: attempt to index field 'wikibase' (a nil value). Lua error in Module:Wikidata at line 880: attempt to index field 'wikibase' (a nil value).Lua error in Module:EditAtWikidata at line 29: attempt to index field 'wikibase' (a nil value).
E number	Lua error in Module:Wikidata at line 880: attempt to index field 'wikibase' (a nil value).
PubChem CID	5288674;
UNII	001L2FE0M3 check;
CompTox Dashboard (EPA)	{{#property:P3117}}Lua error in Module:EditAtWikidata at line 29: attempt to index field 'wikibase' (a nil value).;
	InChI InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1 check Key: KUFRQPKVAWMTJO-LMZWQJSESA-N check; InChI=1/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1 Key: KUFRQPKVAWMTJO-LMZWQJSEBL;
	SMILES C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)/C)OC)OC(=O)N)\C)C)O)OC; C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)/C)OC)OC(=O)N)\C)C)O)OC;
Properties
Chemical formula	C32H48N4O8
Molar mass	616.756 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). ☒ verify (what is check☒ ?) Infobox references

17-Dimethylaminoethylamino-17-demethoxygeldanamycin (17-DMAG) is a chemical compound which is a semi-synthetic derivative of the antibiotic geldanamycin.^[1]^[2] It is being studied for the possibility of treating cancer.^[3]

References

^ WO application 2002079167, Snader, Kenneth M.; Vishnuvajjala, B. Rao; Hollingshead, Melinda G.; Sausville, Edward A., "Preparation of geldanamycin derivatives for the treatment of cancer", published Lua error in Module:Citation/CS1/Configuration at line 2172: attempt to index field '?' (a nil value).
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[1] WO application 2002079167, Snader, Kenneth M.; Vishnuvajjala, B. Rao; Hollingshead, Melinda G.; Sausville, Edward A., "Preparation of geldanamycin derivatives for the treatment of cancer", published Lua error in Module:Citation/CS1/Configuration at line 2172: attempt to index field '?' (a nil value).

[2] Lua error in Module:Citation/CS1/Configuration at line 2172: attempt to index field '?' (a nil value).

[3] Lua error in Module:Citation/CS1/Configuration at line 2172: attempt to index field '?' (a nil value).

[1]

[2]

[3]

17-Dimethylaminoethylamino-17-demethoxygeldanamycin

References

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