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SN40

CAT: 0931-T60642-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T60642-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2768663-14-3
Target
Others, ASCT, transporter
Related Pathways
Others, Metabolism, Membrane transporter/Ion channel
Bioactivity
SN40 is a potent amino acid transport (AAT) inhibitor relevant for anticancer research, with Kis of 7.29 μM, 2.42 μM, 2.94 μM, 5.55 μM, 24.43 μM and 5.55 μM for human ASCT1, rat ASCT2, human ASCT2, EAAT1, EAAT2, EAAC1 and EAAT5, respectively [1].
Smiles
C(N[C@H]1C[C@@H](C(O)=O)NC1)C2=CC=C(C=C2)C3=CC=CC=C3
Molecular Formula
C18H20N2O2
Molecular Weight
296.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 164516873
CAS Number2768663-14-3
PubChem CID164516873
IUPAC Name(2S,4S)-4-[(4-phenylphenyl)methylamino]pyrrolidine-2-carboxylic acid
Molecular FormulaC18H20N2O2
Molecular Weight296.4
XLogP0
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity360
SMILES
C1[C@@H](CN[C@@H]1C(=O)O)NCC2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H20N2O2/c21-18(22)17-10-16(12-20-17)19-11-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-17,19-20H,10-12H2,(H,21,22)/t16-,17-/m0/s1
InChIKey
FKDKNHWXEJUEMP-IRXDYDNUSA-N
Chemical Structure
2D Structure
2D structure of CID 164516873
CAS: 2768663-14-3
CID: 164516873
Formula: C18H20N2O2
MW: 296.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.4
XLogP30
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass296.152477885
Monoisotopic Mass296.152477885
Topological Polar Surface Area61.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity360
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-146241-01SN40
HY-146241B-01SN40 (hydrochloride)
C8519-5SN40 hydrochloride

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