EC089 - CAS 625827-91-0 Catalog number: BADC-00684

Description

EC089 is a cleavable linker used in conjugates of tubulysins and folates, and extracted from patent WO2011069116A1.

Synonyms

2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[3-carboxy-1-[[1-[[3-carboxy-1-[(1-carboxy-2-sulfanylethyl)amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

IUPAC Name

(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Canonical SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)O)C(=O)NC(CS)C(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N

InChI

InChI=1S/C36H46N14O14S/c37-35(38)40-9-1-2-18(29(57)47-21(11-25(54)55)31(59)48-22(14-65)34(63)64)45-30(58)20(10-24(52)53)44-23(51)8-7-19(33(61)62)46-28(56)15-3-5-16(6-4-15)41-12-17-13-42-27-26(43-17)32(60)50-36(39)49-27/h3-6,13,18-22,41,65H,1-2,7-12,14H2,(H,44,51)(H,45,58)(H,46,56)(H,47,57)(H,48,59)(H,52,53)(H,54,55)(H,61,62)(H,63,64)(H4,37,38,40)(H3,39,42,49,50,60)

InChIKey

HEPJURCEHYKKAB-UHFFFAOYSA-N

Shipping

Room temperature, or blue ice upon request.