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JPH203 dihydrochloride

CAT: 1410-M23695-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M23695-01Size:2 mg
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Description
JPH203 dihydrochloride is a tyrosine analog, acts as a selective inhibitor of L-type amino acid transporter 1 (LAT1), and is used in cancer research.
CAS Number
1597402-27-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
545.24
Molecular Formula
C23H21Cl4N3O4
Notes
Research use only, not for human use.
Receptor
LAT1

Chemical Information

JPH203 Dihydrochloride

KYT 0353 is a potent and selective inhibitor of L-type amino acid transporter 1 (LAT1).

CAS Number1597402-27-1
PubChem CID122553374
IUPAC Name(2S)-2-amino-3-[4-[(5-amino-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-dichlorophenyl]propanoic acid;dihydrochloride
Molecular FormulaC23H21Cl4N3O4
Molecular Weight545.2
Topological Polar Surface Area125
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity626
SMILES
C1=CC=C(C=C1)C2=NC3=CC(=CC(=C3O2)COC4=C(C=C(C=C4Cl)C[C@@H](C(=O)O)N)Cl)N.Cl.Cl
InChI
InChI=1S/C23H19Cl2N3O4.2ClH/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13;;/h1-7,9-10,18H,8,11,26-27H2,(H,29,30);2*1H/t18-;;/m0../s1
InChIKey
MJSAOPNUSNNYQL-NTEVMMBTSA-N
Chemical Structure
2D Structure
2D structure of JPH203 Dihydrochloride
CAS: 1597402-27-1
CID: 122553374
Formula: C23H21Cl4N3O4
MW: 545.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight545.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass545.025667
Monoisotopic Mass543.028617
Topological Polar Surface Area125 Ų
Heavy Atom Count34
Formal Charge0
Complexity626
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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