Geldanamycin-FITC, fluorescent labelled HSP90 inhibitor

Key facts

CAS number

30562-34-6

Purity

>98%

Molecular weight

1034.2 g/mol

Molecular formula

C₅₅H₆₃N₅O₁₃S

Nature

Synthetic

Biological description

Potent fluorescent labelled-HSP90 inhibitor for in vitro and in vivo use. Geldanamycin from Streptomyces hygroscopicus.

Isomeric smiles

NC(=O)O[C@H]1C(C)=C[C@H](C)[C@@H](O)[C@@H](OC)C[C@H](C)CC=6C(=O)C(NC(=O)C(C)=CC=C[C@@H]1OC)=CC(=O)C=6NCCCCCCNC(=S)NC5CCC(C=2C4CCC(O)CC4OC3=CC(=O)C=CC=23)C(C5)C(=O)O

InChi

InChI=1S/C55H63N5O13S/c1-29-22-40-48(42(63)28-41(50(40)65)60-52(66)30(2)12-11-13-43(70-5)51(73-54(56)69)32(4)24-31(3)49(64)46(23-29)71-6)57-20-9-7-8-10-21-58-55(74)59-33-14-17-36(39(25-33)53(67)68)47-37-18-15-34(61)26-44(37)72-45-27-35(62)16-19-38(45)47/h11-19,24-29,31,43,46,49,51,57,61,64H,7-10,20-23H2,1-6H3,(H2,56,69)(H,60,66)(H,67,68)(H2,58,59,74)/b13-11-,30-12+,32-24+/t29-,31+,43+,46+,49-,51+/m1/s1

InChiKey

NLCWMGUTUFWVHY-CPMGOHQRSA-N