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OSBP ligand-1

CAT: 0804-HY-178035Size: 1 EachDry Ice: NoHazardous: No
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Description
OSBP ligand-1 (Compound 2) is an Oxysterol-binding protein (OSBP) inhibitor. OSBP ligand-1 can be used for synthesis of PROTAC OSBP Degrader-1.
CAS Number
2890760-73-1
UNSPSC
12352005
Target
Ligands for Target Protein for PROTAC; Oxysterol-binding Protein-related Protein (ORP)
Related Pathways
Metabolic Enzyme/Protease; PROTAC
Field of Research
Cancer
Smiles
C/C(C)=C\CC1=C(O)C=C(/C=C/C2=CC3=C(C(OC)=C2)O[C@]4(C)CC[C@@H](O)C(C)(C)[C@@]4([H])C3)C=C1OCC#C
Molecular Formula
C33H40O5
Molecular Weight
516.67
References & Citations
[1]Guimard C, et al. Elaboration and profiling of the first OSBP degrader issued from natural Schweinfurthins. Bioorg Chem. 2025 Sep;164:108909.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(2R,4aR,9aR)-7-[(E)-2-[3-hydroxy-4-(3-methylbut-2-enyl)-5-prop-2-ynoxyphenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthen-2-ol
CAS Number2890760-73-1
PubChem CID166463941
IUPAC Name(2R,4aR,9aR)-7-[(E)-2-[3-hydroxy-4-(3-methylbut-2-enyl)-5-prop-2-ynoxyphenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthen-2-ol
Molecular FormulaC33H40O5
Molecular Weight516.7
XLogP7.4
Topological Polar Surface Area68.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity910
SMILES
CC(=CCC1=C(C=C(C=C1OCC#C)/C=C/C2=CC3=C(C(=C2)OC)O[C@@]4(CC[C@H](C([C@H]4C3)(C)C)O)C)O)C
InChI
InChI=1S/C33H40O5/c1-8-15-37-27-18-23(17-26(34)25(27)12-9-21(2)3)11-10-22-16-24-20-29-32(4,5)30(35)13-14-33(29,6)38-31(24)28(19-22)36-7/h1,9-11,16-19,29-30,34-35H,12-15,20H2,2-7H3/b11-10+/t29-,30-,33-/m1/s1
InChIKey
OIULBPSBDODBHQ-HSAZJDPLSA-N
Chemical Structure
2D Structure
2D structure of (2R,4aR,9aR)-7-[(E)-2-[3-hydroxy-4-(3-methylbut-2-enyl)-5-prop-2-ynoxyphenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthen-2-ol
CAS: 2890760-73-1
CID: 166463941
Formula: C33H40O5
MW: 516.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight516.7
XLogP37.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass516.28757437
Monoisotopic Mass516.28757437
Topological Polar Surface Area68.2 Ų
Heavy Atom Count38
Formal Charge0
Complexity910
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19275070-01OSBP ligand-1
GTR19275077-01OSBP ligand-Linker Conjugate 1
T81595-01OSBP-IN-1
GTR19275091-01PROTAC OSBP Degrader-1
487907Oxysterol-binding protein 1 (OSBP)
abx344020-01Oxysterol-binding protein 1 (OSBP) Antibody
abx236016Oxysterol Binding Protein 1 (OSBP) Antibody
abx269658Oxysterol Binding Protein 1 (OSBP) Peptide
O8247-01DOSBP1 (Oxysterol-binding Protein 1, OSBP)
150755OSBP1 (OSBP, Oxysterol-binding Protein 1) discontinued

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