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CGamF

CAT: 0931-T201350-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T201350-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
168912-70-7
Target
Endogenous Metabolite, Others
Related Pathways
Others, Metabolism
Bioactivity
CGamF is a fluorescent probe designed for bile acid transport, consisting of a bile acid (Product No. 20250) linked to fluorescein via a glycine connecting group. In aqueous solution at pH 7.4, the excitation/emission wavelengths of this probe are 492/515 nm, respectively. The fluorescence intensity of CGamF increases with rising pH when excited at 495 nm, while the intensity is unaffected by pH changes when excited at 440 nm. Sodium-dependent uptake of CGamF by hepatocytes increases with the concentration of the compound, with reduced absorption at lower sodium levels. CGamF has been utilized in vitro to study drug interactions and toxicity mediated by hepatic transporters.
Smiles
O=C1OC2(C=3C1=CC(NC(CNC(CC[C@@H](C)[C@@]4([C@]5(C)[C@@](CC4)([C@]6([C@](C[C@@H]5O)([C@]7(C)[C@](C[C@H]6O)(C[C@H](O)CC7)[H])[H])[H])[H])[H])=O)=O)=CC3)C=8C(OC=9C2=CC=C(O)C9)=CC(O)=CC8
Molecular Formula
C46H54N2O10
Molecular Weight
794.93
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 172652667
CAS Number168912-70-7
PubChem CID172652667
IUPAC Name(4R)-N-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)amino]-2-oxoethyl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
Molecular FormulaC46H54N2O10
Molecular Weight794.9
XLogP5.7
Topological Polar Surface Area195
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count58
Formal Charge0
Complexity1550
SMILES
C[C@H](CCC(=O)NCC(=O)NC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O)[C@H]6CC[C@@H]7[C@@]6([C@H](C[C@H]8[C@H]7[C@@H](C[C@H]9[C@@]8(CC[C@H](C9)O)C)O)O)C
InChI
InChI=1S/C46H54N2O10/c1-23(30-11-12-34-42-35(21-39(53)45(30,34)3)44(2)15-14-28(51)16-24(44)17-36(42)52)4-13-40(54)47-22-41(55)48-25-5-8-31-29(18-25)43(56)58-46(31)32-9-6-26(49)19-37(32)57-38-20-27(50)7-10-33(38)46/h5-10,18-20,23-24,28,30,34-36,39,42,49-53H,4,11-17,21-22H2,1-3H3,(H,47,54)(H,48,55)/t23-,24+,28-,30-,34+,35+,36-,39+,42+,44+,45-/m1/s1
InChIKey
ODNHQBGUSBRMLL-NGLFZQPYSA-N
Chemical Structure
2D Structure
2D structure of CID 172652667
CAS: 168912-70-7
CID: 172652667
Formula: C46H54N2O10
MW: 794.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight794.9
XLogP35.7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass794.37784592
Monoisotopic Mass794.37784592
Topological Polar Surface Area195 Ų
Heavy Atom Count58
Formal Charge0
Complexity1550
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19342975-01CGamF

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