Products for Research Use Only
RegisterLogin

Defoslimod

CAT: 0931-T89266-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T89266-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
171092-39-0
Bioactivity
Defoslimod (OM 174) acts as an agonist for the TLR4 receptor (TLR4receptor), functioning as an immunomodulator. It activates macrophages and dendritic cells, induces cytokine secretion, and has demonstrated antitumor efficacy in rats.
Smiles
O(C[C@H]1O[C@H](OP(=O)(O)O)[C@H](NC(C[C@@H](CCCCCCCCCCC)O)=O)[C@@H](O)[C@@H]1O)[C@H]2[C@H](NC(C[C@H](OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)[C@@H](O)[C@H](OP(=O)(O)O)[C@@H](CO)O2
Molecular Formula
C52H100N2O20P2
Molecular Weight
1135.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

OM 174

Defoslimod is a small molecule drug. The usage of the INN stem '-imod' in the name indicates that Defoslimod is a immunomodulator, both stimulant/suppressive and stimulant. Defoslimod is under investigation in clinical trial NCT01800812 (Effects of OM-174 in Adult Patients With Solid Tumors). Defoslimod has a monoisotopic molecular weight of 1148.65 Da.

CAS Number171092-39-0
PubChem CID9833422
IUPAC Name[(3R)-1-[[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-3,4-dihydroxy-5-[[(3R)-3-hydroxytetradecanoyl]amino]-6-phosphonooxyoxan-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-phosphonooxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] dodecanoate
Molecular FormulaC52H100N2O20P2
Molecular Weight1135.3
XLogP8.6
Topological Polar Surface Area347
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count20
Rotatable Bond Count46
Heavy Atom Count76
Formal Charge0
Complexity1640
SMILES
CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)O)O
InChI
InChI=1S/C52H100N2O20P2/c1-4-7-10-13-16-19-22-25-28-31-38(56)34-42(57)53-45-48(61)47(60)41(72-52(45)74-76(66,67)68)37-69-51-46(49(62)50(40(36-55)71-51)73-75(63,64)65)54-43(58)35-39(32-29-26-23-20-17-14-11-8-5-2)70-44(59)33-30-27-24-21-18-15-12-9-6-3/h38-41,45-52,55-56,60-62H,4-37H2,1-3H3,(H,53,57)(H,54,58)(H2,63,64,65)(H2,66,67,68)/t38-,39-,40-,41-,45-,46-,47-,48-,49-,50-,51-,52-/m1/s1
InChIKey
GOWLTLODGKPXMN-MWJFIXGVSA-N
Chemical Structure
2D Structure
2D structure of OM 174
CAS: 171092-39-0
CID: 9833422
Formula: C52H100N2O20P2
MW: 1135.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1135.3
XLogP38.6
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count20
Rotatable Bond Count46
Exact Mass1134.63446758
Monoisotopic Mass1134.63446758
Topological Polar Surface Area347 Ų
Heavy Atom Count76
Formal Charge0
Complexity1640
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19238077-01Defoslimod

Popular Products