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CAY10455

CAT: 0013-GTR19232789-02Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232789-02Size:500 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CAY10455 is a fluorescent probe for the anandamide (AEA) transporter, activated intracellularly by esterases. It competitively inhibits and is inhibited by AEA, confirming shared uptake mechanisms. This tool is valuable for in vitro and in vivo imaging and transport studies in endocannabinoid research.
CAS Number
290374-09-3
Smiles
O=C1OC2 (C=3C1=CC (NC (OCCNC (CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC) =O) =O) =CC3) C=4C (OC=5C2=CC=C (OC (C) =O) C5) =CC (OC (C) =O) =CC4
Molecular Formula
C47H52N2O10
Molecular Weight
804.9
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[6'-acetyloxy-5-[2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]ethoxycarbonylamino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate
CAS Number290374-09-3
PubChem CID101044770
IUPAC Name[6'-acetyloxy-5-[2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]ethoxycarbonylamino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate
Molecular FormulaC47H52N2O10
Molecular Weight804.9
XLogP9
Topological Polar Surface Area156
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count23
Heavy Atom Count59
Formal Charge0
Complexity1480
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOC(=O)NC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)OC(=O)C)OC5=C3C=CC(=C5)OC(=O)C)OC2=O
InChI
InChI=1S/C47H52N2O10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-44(52)48-28-29-55-46(54)49-35-22-25-39-38(30-35)45(53)59-47(39)40-26-23-36(56-33(2)50)31-42(40)58-43-32-37(57-34(3)51)24-27-41(43)47/h8-9,11-12,14-15,17-18,22-27,30-32H,4-7,10,13,16,19-21,28-29H2,1-3H3,(H,48,52)(H,49,54)/b9-8-,12-11-,15-14-,18-17-
InChIKey
LQMHXQGEEUIVLB-GKFVBPDJSA-N
Chemical Structure
2D Structure
2D structure of [6'-acetyloxy-5-[2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]ethoxycarbonylamino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate
CAS: 290374-09-3
CID: 101044770
Formula: C47H52N2O10
MW: 804.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight804.9
XLogP39
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count23
Exact Mass804.36219586
Monoisotopic Mass804.36219586
Topological Polar Surface Area156 Ų
Heavy Atom Count59
Formal Charge0
Complexity1480
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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