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OTX008

CAT: 0931-T16413-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T16413-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
286936-40-1
Target
Galectin
Related Pathways
Immunology/Inflammation
Purity
0.9984
Bioactivity
OTX008 (PTX008) is a selective galectin-1 inhibitor.
Smiles
O(CC(NCCN(C)C)=O)C=1C=2CC=3C(OCC(NCCN(C)C)=O)=C(CC=4C(OCC(NCCN(C)C)=O)=C(CC5=C(OCC(NCCN(C)C)=O)C(CC1C=CC2)=CC=C5)C=CC4)C=CC3
Molecular Formula
C52H72N8O8
Molecular Weight
937.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Otx-008

OTX008 has been used in trials studying the treatment of Solid Tumors.

CAS Number286936-40-1
PubChem CID11953346
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[[26,27,28-tris[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetamide
Molecular FormulaC52H72N8O8
Molecular Weight937.2
XLogP5.1
Topological Polar Surface Area166
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count24
Heavy Atom Count68
Formal Charge0
Complexity1250
SMILES
CN(C)CCNC(=O)COC1=C2CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=CC=CC(=C5OCC(=O)NCCN(C)C)CC1=CC=C2)OCC(=O)NCCN(C)C)OCC(=O)NCCN(C)C
InChI
InChI=1S/C52H72N8O8/c1-57(2)25-21-53-45(61)33-65-49-37-13-9-14-38(49)30-40-16-11-18-42(51(40)67-35-47(63)55-23-27-59(5)6)32-44-20-12-19-43(52(44)68-36-48(64)56-24-28-60(7)8)31-41-17-10-15-39(29-37)50(41)66-34-46(62)54-22-26-58(3)4/h9-20H,21-36H2,1-8H3,(H,53,61)(H,54,62)(H,55,63)(H,56,64)
InChIKey
CQVAQQNDZCZBSU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Otx-008
CAS: 286936-40-1
CID: 11953346
Formula: C52H72N8O8
MW: 937.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight937.2
XLogP35.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count24
Exact Mass936.54731128
Monoisotopic Mass936.54731128
Topological Polar Surface Area166 Ų
Heavy Atom Count68
Formal Charge0
Complexity1250
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR19155700-01OTX008
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A12172-10OTX008 10mg
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A12172-100OTX008 100mg
A12172-500OTX008 500mg
A12172-50OTX008 50mg
A12172-25OTX008 25mg

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