LY2510924 acetate
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LY2510924 acetate

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Ly2510924 acetate is a potent and selective CXCR4 antagonist that prevents the binding of SDF-1 to CXCR4 with an IC50 of 0.079 nM. It has potential antineoplastic activity.

Category
Peptide Inhibitors
Catalog number
BAT-016426
Molecular Formula
C62H88N14O10.C2H4O2
Molecular Weight
1249.53
LY2510924 acetate
IUPAC Name
acetic acid;(2S,5S,8S,11R,14S,20R)-N-[(2S)-1-amino-1-oxo-6-(propan-2-ylamino)hexan-2-yl]-2-benzyl-11-[3-(diaminomethylideneamino)propyl]-5-[(4-hydroxyphenyl)methyl]-14-(naphthalen-2-ylmethyl)-3,6,9,12,15,18,23-heptaoxo-8-[4-(propan-2-ylamino)butyl]-1,4,7,10,13,16,19-heptazacyclotricosane-20-carboxamide
Synonyms
L-Lysinamide, L-phenylalanyl-L-tyrosyl-N6-(1-methylethyl)-L-lysyl-D-arginyl-3-(2-naphthalenyl)-L-alanylglycyl-D-α-glutamyl-N6-(1-methylethyl)-, (7→1)-lactam, acetate (1:1); LY 2510924 acetate; LY-2510924 acetate; N(1)Phe-Tyr-Lys(iPr)-D-Arg-2Nal-Gly-D-Glu(1)-Lys(iPr)-NH2 acetate
Related CAS
1088715-84-7 (free base) 1088716-47-5 (x-acetate salt) 1088715-85-8 (x-TFA salt)
Purity
≥95%
Sequence
Phe-Tyr-Lys(iPr)-D-Arg-2Nal-Gly-D-Glu-Lys(iPr)-NH2.CH3CO2H (Disulfide bridge: Phe1-Glu7)
Storage
Store at -20°C
InChI
InChI=1S/C62H88N14O10.C2H4O2/c1-38(2)66-30-12-10-19-46(55(63)80)72-59(84)49-28-29-53(78)71-51(34-40-15-6-5-7-16-40)60(85)76-52(35-41-23-26-45(77)27-24-41)61(86)74-47(20-11-13-31-67-39(3)4)57(82)73-48(21-14-32-68-62(64)65)58(83)75-50(56(81)69-37-54(79)70-49)36-42-22-25-43-17-8-9-18-44(43)33-42;1-2(3)4/h5-9,15-18,22-27,33,38-39,46-52,66-67,77H,10-14,19-21,28-32,34-37H2,1-4H3,(H2,63,80)(H,69,81)(H,70,79)(H,71,78)(H,72,84)(H,73,82)(H,74,86)(H,75,83)(H,76,85)(H4,64,65,68);1H3,(H,3,4)/t46-,47-,48+,49+,50-,51-,52-;/m0./s1
InChI Key
JINSCKPDMCHQMM-ZADAPGLYSA-N
Canonical SMILES
O=C(O)C.O=C(N)C(NC(=O)C1NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CC1)CC=2C=CC=CC2)CC3=CC=C(O)C=C3)CCCCNC(C)C)CCCNC(=N)N)CC=4C=CC=5C=CC=CC5C4)CCCCNC(C)C
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