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JBP485

CAT: 0013-GTR19210120-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210120-03Size:100 mg
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Description
JBP485 is a dipeptide antihepatitis agent that acts as a substrate for the intestinal proton-coupled oligopeptide transporter PEPT1. It also functions as an inhibitor of the renal organic anion transporters OAT1 and OAT3, making it a useful pharmacological tool for studying drug-drug interactions and transporter-mediated uptake in both in vitro and in vivo research models.
CAS Number
211868-63-2
Field of Research
Metabolism Research
Smiles
O=C1[C@]2 (N (C (=O) [C@H] (CO) N1) C[C@H] (O) C2) [H]
Molecular Formula
C8H12N2O4
Molecular Weight
200.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cyclo-trans-4-L-Hydroxyprolyl-L-serine

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CAS Number211868-63-2
PubChem CID9815587
IUPAC Name(3S,7R,8aS)-7-hydroxy-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Molecular FormulaC8H12N2O4
Molecular Weight200.19
XLogP-1.7
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity281
SMILES
C1[C@H](CN2[C@@H]1C(=O)N[C@H](C2=O)CO)O
InChI
InChI=1S/C8H12N2O4/c11-3-5-8(14)10-2-4(12)1-6(10)7(13)9-5/h4-6,11-12H,1-3H2,(H,9,13)/t4-,5+,6+/m1/s1
InChIKey
FUYZNZHRVJWTLT-SRQIZXRXSA-N
Chemical Structure
2D Structure
2D structure of Cyclo-trans-4-L-Hydroxyprolyl-L-serine
CAS: 211868-63-2
CID: 9815587
Formula: C8H12N2O4
MW: 200.19
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight200.19
XLogP3-1.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass200.07970687
Monoisotopic Mass200.07970687
Topological Polar Surface Area89.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity281
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA7669-5JBP485

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