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AGI-134

CAT: 0013-GTR19235699-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235699-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AGI-134 is a synthetic alpha-Gal glycolipid that activates CD8+ T cell-mediated immunity, leading to targeted tumor cell lysis and phagocytosis. This mechanism supports its research application in studying immunotherapeutic strategies against cancer in both in vitro and in vivo experimental models.
CAS Number
1821461-84-0
Smiles
O ([C@@H]1[C@@H] (CO) O[C@@H] (OCCCNC (CCCCC (NCCOP (OC[C@H] (OC (CCCCCCC/C=C\CCCCCCCC) =O) COC (CCCCCCC/C=C\CCCCCCCC) =O) (=O) O) =O) =O) [C@H] (NC (C) =O) [C@H]1O) [C@H]2[C@H] (O) [C@@H] (O[C@H]3O[C@H] (CO) [C@H] (O) [C@H] (O) [C@H]3O) [C@@H] (O) [C@@H] (CO) O2
Molecular Formula
C70H126N3O26P
Molecular Weight
1456.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Agi-134

AGI-134 is under investigation in clinical trial NCT03593226 (Study to Evaluate Safety & Tolerability of AGI-134 in Solid Tumour).

CAS Number1821461-84-0
PubChem CID92131145
IUPAC Name[(2R)-3-[2-[[6-[3-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]-6-oxohexanoyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
Molecular FormulaC70H126N3O26P
Molecular Weight1456.7
XLogP7.3
Topological Polar Surface Area433
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count26
Rotatable Bond Count60
Heavy Atom Count100
Formal Charge0
Complexity2300
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCCCC(=O)NCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)NC(=O)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C70H126N3O26P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39-57(80)91-48-51(94-58(81)40-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)49-93-100(88,89)92-44-42-72-56(79)38-35-34-37-55(78)71-41-36-43-90-68-59(73-50(3)77)62(84)66(54(47-76)97-68)98-70-65(87)67(61(83)53(46-75)96-70)99-69-64(86)63(85)60(82)52(45-74)95-69/h18-21,51-54,59-70,74-76,82-87H,4-17,22-49H2,1-3H3,(H,71,78)(H,72,79)(H,73,77)(H,88,89)/b20-18-,21-19-/t51-,52-,53-,54-,59-,60+,61+,62-,63+,64-,65-,66-,67+,68-,69-,70+/m1/s1
InChIKey
ZJYQGJWRGLACDM-UNBAAJOISA-N
Chemical Structure
2D Structure
2D structure of Agi-134
CAS: 1821461-84-0
CID: 92131145
Formula: C70H126N3O26P
MW: 1456.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1456.7
XLogP37.3
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count26
Rotatable Bond Count60
Exact Mass1455.83671813
Monoisotopic Mass1455.83671813
Topological Polar Surface Area433 Ų
Heavy Atom Count100
Formal Charge0
Complexity2300
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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