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Cylexin

CAT: 0013-GTR19243157-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243157-02Size:50 mg
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Description
Cylexin is a small molecule antagonist of P-selectin, blocking its interaction with PSGL-1. This inhibitor is utilized in research to study leukocyte adhesion and inflammation in models of ischemia-reperfusion injury, atherosclerosis, and other inflammatory conditions.
CAS Number
168678-84-0
Smiles
[H][C@]1 (O[C@H] ([C@H] ([C@H] ([C@@H]1O) O) O) C) O[C@@H]2[C@H] ([C@@H] (O[C@@H] ([C@H]2O[C@@]3 (O[C@@H] ([C@@H] ([C@@H] ([C@H]3O) O[C@]4 (C (O) =O) C[C@@H] ([C@H] ([C@@] (O4) ([C@H] ([C@@H] (CO) O) O) [H]) NC (C) =O) O) O) CO) [H]) CO) O[C@H]5[C@H] ([C@H] (O[C@H] ([C@@H]5O) OC) CO) O) O
Molecular Formula
C36H61NO28
Molecular Weight
955.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cylexin

a synthetic analog of sialyl Lewis X

CAS Number168678-84-0
PubChem CID162623684
IUPAC Name(2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Molecular FormulaC36H61NO28
Molecular Weight955.9
XLogP-9.4
Topological Polar Surface Area462
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count28
Rotatable Bond Count17
Heavy Atom Count65
Formal Charge0
Complexity1540
SMILES
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)CO)O[C@H]5[C@H]([C@H](O[C@H]([C@@H]5O)OC)CO)O)O)O)O)O
InChI
InChI=1S/C36H61NO28/c1-9-17(45)21(49)22(50)32(57-9)63-30-25(53)34(62-28-19(47)13(6-39)58-31(56-3)23(28)51)60-15(8-41)26(30)61-33-24(52)29(20(48)14(7-40)59-33)65-36(35(54)55)4-11(43)16(37-10(2)42)27(64-36)18(46)12(44)5-38/h9,11-34,38-41,43-53H,4-8H2,1-3H3,(H,37,42)(H,54,55)/t9-,11-,12+,13+,14+,15+,16+,17+,18-,19-,20-,21+,22-,23+,24+,25+,26+,27+,28-,29-,30+,31+,32-,33-,34-,36-/m0/s1
InChIKey
OJVWCHCGJALQIL-BADDBONTSA-N
Chemical Structure
2D Structure
2D structure of Cylexin
CAS: 168678-84-0
CID: 162623684
Formula: C36H61NO28
MW: 955.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight955.9
XLogP3-9.4
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count28
Rotatable Bond Count17
Exact Mass955.33801029
Monoisotopic Mass955.33801029
Topological Polar Surface Area462 Ų
Heavy Atom Count65
Formal Charge0
Complexity1540
Isotope Atom Count0
Defined Atom Stereocenter Count26
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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