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Prostaglandin B3

CAT: 0931-T84583-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T84583-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
36614-32-1
Target
Endogenous Metabolite, PPAR, Others
Related Pathways
Metabolism, Others, DNA Damage/DNA Repair
Bioactivity
Prostaglandin B3 (PGB3) is a secondary alcohol belonging to the prostaglandin B class, characterized by its relatively low affinity for human PPARγ, exhibiting a K_i value greater than 1 mM, in contrast to PGB1 and PGB2, which have K_i values of 26.28 ± 8.7 μM and 77 ± 37.7 μM, respectively [1].
Smiles
C(/C=C\CCCC(O)=O)C1=C(/C=C/[C@H](C/C=C\CC)O)CCC1=O
Molecular Formula
C20H28O4
Molecular Weight
332.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Prostaglandin B3

Prostaglandin B3 is a member of the class of prostaglandins A that is prosta-5,8(12),13,17-tetraen-1-oic acid carrying oxo and hydsroxy substituents at positions 9 and 15 respectively (the 5Z,13E,15S,17Z-stereoisomer). It has a role as a xenobiotic metabolite and a rat metabolite. It is a prostaglandins B and a secondary alcohol. It is a conjugate acid of a prostaglandin B3(1-).

CAS Number36614-32-1
PubChem CID5283113
IUPAC Name(Z)-7-[2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopenten-1-yl]hept-5-enoic acid
Molecular FormulaC20H28O4
Molecular Weight332.4
XLogP2.7
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count24
Formal Charge0
Complexity538
SMILES
CC/C=C\C[C@@H](/C=C/C1=C(C(=O)CC1)C/C=C\CCCC(=O)O)O
InChI
InChI=1S/C20H28O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h3-4,6-7,12,14,17,21H,2,5,8-11,13,15H2,1H3,(H,23,24)/b6-3-,7-4-,14-12+/t17-/m0/s1
InChIKey
DQRGQQAJYRBDRP-UNBCGXALSA-N
Chemical Structure
2D Structure
2D structure of Prostaglandin B3
CAS: 36614-32-1
CID: 5283113
Formula: C20H28O4
MW: 332.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.4
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass332.19875937
Monoisotopic Mass332.19875937
Topological Polar Surface Area74.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity538
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TBI4534-5MGProstaglandin B1, Endogenous prostaglandin
TBI4461-5MGProstaglandin A1, Endogenous prostaglandin
TBI4455-10MGProstaglandin E1, Endogenous prostaglandin
AG184Prostaglandin
TBI1358-1MGProstaglandin E2, Prostaglandin E (EP) agonist
B7005-10Prostaglandin E2
HY-113481-01Prostaglandin E3
HY-B0131-01Prostaglandin E1
HY-120656-01Prostaglandin K2
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