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(S) -Bromoenol lactone

CAT: 0931-T60832-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0931-T60832-01Size:500 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
478288-94-7
Target
Phospholipase, Others
Related Pathways
Metabolism, Others
Bioactivity
(S) -Bromoenol lactone ((S) -BEL) inhibits the arachidonate release induced by vasopressin from cultured rat aortic smooth muscle (A10) cells with an IC50 of 2 μM. (S) -BEL is an irreversible, chiral, mechanism-based calcium-independent phospholipase A2β (iPLA2β) inhibitor [1].
Smiles
O=C1[C@H](C=2C3=C(C=CC2)C=CC=C3)CC/C(=C\Br)/O1
Molecular Formula
C16H13BrO2
Molecular Weight
317.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S)-Bromoenol lactone

(S)-Bromoenol lactone is a member of naphthalenes.

CAS Number478288-94-7
PubChem CID40486927
IUPAC Name(3S,6E)-6-(bromomethylidene)-3-naphthalen-1-yloxan-2-one
Molecular FormulaC16H13BrO2
Molecular Weight317.18
XLogP4.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity377
SMILES
C1C/C(=C\Br)/OC(=O)[C@@H]1C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C16H13BrO2/c17-10-12-8-9-15(16(18)19-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10,15H,8-9H2/b12-10+/t15-/m0/s1
InChIKey
BYUCSFWXCMTYOI-PABFRNLHSA-N
Chemical Structure
2D Structure
2D structure of (S)-Bromoenol lactone
CAS: 478288-94-7
CID: 40486927
Formula: C16H13BrO2
MW: 317.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.18
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass316.00989
Monoisotopic Mass316.00989
Topological Polar Surface Area26.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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