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V-9302

CAT: 0957-S8818-05Size: 1 gDry Ice: NoHazardous: No
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CAT#:0957-S8818-05Size:1 g
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Description
V-9302 is a competitive small molecule antagonist of transmembrane glutamine flux, that selectively and potently targets the amino acid transporter ASCT2 (SLC1A5) with an IC50 value of 9.6 μM for inhibition of glutamine uptake in HEK-293 cells. V-9302 blocks Sodium-neutral AA transporter 2 (SNAT2, SLC38A2) and the large neutral AA transporter 1 (LAT1, SLC7A5) as observed in 143B osteosarcoma cells, HCC1806 breast cancer cells and Xenopus laevis oocytes. Dilution of PBS may cause a clear aqueous solution to turn into a uniform suspension.
CAS Number
1855871-76-9
Target
Amino acid transporter
Activity
Transmembrane Transporters
Molecular Formula
C34H38N2O4
Storage Conditions
3 years -20°C powder

Chemical Information

(S)-2-amino-4-(bis(2-((3-methylbenzyl)oxy)benzyl)amino)butanoic acid
CAS Number1855871-76-9
PubChem CID127035871
IUPAC Name(2S)-2-amino-4-[bis[[2-[(3-methylphenyl)methoxy]phenyl]methyl]amino]butanoic acid
Molecular FormulaC34H38N2O4
Molecular Weight538.7
XLogP3.7
Topological Polar Surface Area85
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count40
Formal Charge0
Complexity687
SMILES
CC1=CC(=CC=C1)COC2=CC=CC=C2CN(CC[C@@H](C(=O)O)N)CC3=CC=CC=C3OCC4=CC=CC(=C4)C
InChI
InChI=1S/C34H38N2O4/c1-25-9-7-11-27(19-25)23-39-32-15-5-3-13-29(32)21-36(18-17-31(35)34(37)38)22-30-14-4-6-16-33(30)40-24-28-12-8-10-26(2)20-28/h3-16,19-20,31H,17-18,21-24,35H2,1-2H3,(H,37,38)/t31-/m0/s1
InChIKey
YGKNVAAMULVFNN-HKBQPEDESA-N
Chemical Structure
2D Structure
2D structure of (S)-2-amino-4-(bis(2-((3-methylbenzyl)oxy)benzyl)amino)butanoic acid
CAS: 1855871-76-9
CID: 127035871
Formula: C34H38N2O4
MW: 538.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight538.7
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass538.28315770
Monoisotopic Mass538.28315770
Topological Polar Surface Area85 Ų
Heavy Atom Count40
Formal Charge0
Complexity687
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes