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LY2510924

CAT: 0931-T15805-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T15805-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1088715-84-7
Target
Others, CXCR
Related Pathways
GPCR/G Protein, Autophagy, Others, Immunology/Inflammation
Bioactivity
LY2510924 is an effective and selective CXCR4 antagonist. It blocks SDF-1 binding to CXCR4 (IC50: 0.079 nM) .
Smiles
[H][C@]1(CCCNC(N)=N)NC(=O)[C@H](CCCCNC(C)C)NC(=O)[C@]([H])(Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CC[C@@H](NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(=O)N[C@@H](CCCCNC(C)C)C(N)=O
Molecular Formula
C62H88N14O10
Molecular Weight
1189.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

L-Lysinamide, L-phenylalanyl-L-tyrosyl-N6-(1-methylethyl)-L-lysyl-D-arginyl-3-(2-naphthalenyl)-L-alanylglycyl-D-alpha-glutamyl-N6-(1-methylethyl)-, (7->1)-lactam
CAS Number1088715-84-7
PubChem CID25102787
IUPAC Name(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
Molecular FormulaC62H88N14O10
Molecular Weight1189.4
XLogP3
Topological Polar Surface Area385
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count13
Rotatable Bond Count25
Heavy Atom Count86
Formal Charge0
Complexity2200
SMILES
CC(C)NCCCC[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](CCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)CC3=CC=CC=C3)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N)CC4=CC5=CC=CC=C5C=C4)CCCN=C(N)N
InChI
InChI=1S/C62H88N14O10/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/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)/t46-,47-,48+,49+,50-,51-,52-/m0/s1
InChIKey
IJHWVENTEFSNBC-BCGYILBZSA-N
Chemical Structure
2D Structure
2D structure of L-Lysinamide, L-phenylalanyl-L-tyrosyl-N6-(1-methylethyl)-L-lysyl-D-arginyl-3-(2-naphthalenyl)-L-alanylglycyl-D-alpha-glutamyl-N6-(1-methylethyl)-, (7->1)-lactam
CAS: 1088715-84-7
CID: 25102787
Formula: C62H88N14O10
MW: 1189.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1189.4
XLogP33
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count13
Rotatable Bond Count25
Exact Mass1188.68078506
Monoisotopic Mass1188.68078506
Topological Polar Surface Area385 Ų
Heavy Atom Count86
Formal Charge0
Complexity2200
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA5294-25LY2510924
A22025-25LY2510924 25mg
A22025-100LY2510924 100mg
A22025-50LY2510924 50mg
A22025-1LY2510924 1mg
A22025-10LY2510924 10mg
A22025-5LY2510924 5mg
MBS5765592LY2510924 acetate (1088715-84-7 free base)

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