E(c(RGDfK))2

• CAT Number: I040404
• CAS Number: 250612-47-6
• Molecular Formula: C59H87N19O16
• Molecular Weight: 1318.44
• Purity: ≥95%
• Synonyms: 2-[(2S,5R,8S,11S)-8-[4-[[(4S)-4-amino-5-[4-[(2S,5S,11S,14R)-14-benzyl-11-(carboxymethyl)-5-[3-(diaminomethylideneamino)propyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-oxopentanoyl]amino]butyl]-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
• InChI: InChI=1S/C59H87N19O16/c60-35(49(86)66-24-10-8-18-39-53(90)74-37(20-12-26-68-59(63)64)51(88)70-32-46(81)72-43(30-48(84)85)57(94)78-41(55(92)76-39)28-34-15-5-2-6-16-34)21-22-44(79)65-23-9-7-17-38-52(89)73-36(19-11-25-67-58(61)62)50(87)69-31-45(80)71-42(29-47(82)83)56(93)77-40(54(91)75-38)27-33-13-3-1-4-14-33/h1-6,13-16,35-43H,7-12,17-32,60H2,(H,65,79)(H,66,86)(H,69,87)(H,70,88)(H,71,80)(H,72,81)(H,73,89)(H,74,90)(H,75,91)(H,76,92)(H,77,93)(H,78,94)(H,82,83)(H,84,85)(H4,61,62,67)(H4,63,64,68)/t35-,36-,37-,38-,39-,40+,41+,42-,43-/m0/s1
• InChIKey: HBRYUNRKUGWZGH-LMKMLFLWSA-N
• SMILES: C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CCCCNC(=O)CCC(C(=O)NCCCCC2C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2)CC3=CC=CC=C3)CC(=O)O)CCCN=C(N)N)N)CC4=CC=CC=C4)CC(=O)O

E(c(RGDfK)) is an αvβ3 integrin-specific binding moiety with tumor targeting properties. Increased uptake of E(c(RGDfK)) in human ovarian cancer OVCAR-3 xenograft tumors may be useful in cancer research[1].

Reference

[1]. Polyak D, et al. Development of PEGylated doxorubicin‐E‐[c (RGDfK) 2] conjugate for integrin‐targeted cancer therapy[J]. Polymers for Advanced Technologies, 2011, 22(1): 103-113.