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I-BOP

CAT: 0931-T35585-02Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0931-T35585-02Size:500 µg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
128719-90-4
Target
Prostaglandin Receptor, Others
Related Pathways
GPCR/G Protein, Others, Immunology/Inflammation
Bioactivity
I-BOP is an agonist (KD=0.61 nM) at the thromboxane A2 receptor (TP) . I-BOP promotes cell proliferation by activating the PI3K pathway in vascular smooth muscle.
Smiles
[H][C@@]12CC[C@@]([H])(O1)[C@H](\C=C\[C@@H](O)COc1ccc(I)cc1)[C@H]2C\C=C/CCCC(O)=O |TLB:22:21:6:2.3,THB:8:7:6:2.3|
Molecular Formula
C23H29IO5
Molecular Weight
512.384
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

I-Bop
CAS Number128719-90-4
PubChem CID5311175
IUPAC Name(Z)-7-[(1S,2R,3R,4R)-3-[(E,3R)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
Molecular FormulaC23H29IO5
Molecular Weight512.4
XLogP4
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count29
Formal Charge0
Complexity570
SMILES
C1C[C@@H]2[C@@H]([C@H]([C@H]1O2)C/C=C\CCCC(=O)O)/C=C/[C@H](COC3=CC=C(C=C3)I)O
InChI
InChI=1S/C23H29IO5/c24-16-7-10-18(11-8-16)28-15-17(25)9-12-20-19(21-13-14-22(20)29-21)5-3-1-2-4-6-23(26)27/h1,3,7-12,17,19-22,25H,2,4-6,13-15H2,(H,26,27)/b3-1-,12-9+/t17-,19-,20-,21+,22-/m1/s1
InChIKey
UYFMSCHBODMWON-HBHIRWTLSA-N
Chemical Structure
2D Structure
2D structure of I-Bop
CAS: 128719-90-4
CID: 5311175
Formula: C23H29IO5
MW: 512.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.4
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass512.10597
Monoisotopic Mass512.10597
Topological Polar Surface Area76 Ų
Heavy Atom Count29
Formal Charge0
Complexity570
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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