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JNT-517

CAT: 1568-C01952-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C01952-02Size:25 mg
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CAS Number
2837993-05-0
SKU
C01952-5mg
Additionnal Information
JNT-517 is a selective and orally bioavailable inhibitor of SLC6A19, with an IC50 of 47 nM against human SLC6A19 in the isoleucine transport assay. JNT-517 treatment increases urinary excretion of phenylalanine (Phe) in a mouse model of phenylketonuria (PKU), thereby reducing plasma Phe levels.

Chemical Information

Repinatrabit
CAS Number2837993-05-0
PubChem CID168510630
IUPAC Name(3R)-3-[cyclopropyl-[[2-fluoro-4-(trifluoromethoxy)phenyl]methylcarbamoyl]amino]piperidine-1-carboxamide
Molecular FormulaC18H22F4N4O3
Molecular Weight418.4
XLogP2.4
Topological Polar Surface Area87.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity602
SMILES
C1C[C@H](CN(C1)C(=O)N)N(C2CC2)C(=O)NCC3=C(C=C(C=C3)OC(F)(F)F)F
InChI
InChI=1S/C18H22F4N4O3/c19-15-8-14(29-18(20,21)22)6-3-11(15)9-24-17(28)26(12-4-5-12)13-2-1-7-25(10-13)16(23)27/h3,6,8,12-13H,1-2,4-5,7,9-10H2,(H2,23,27)(H,24,28)/t13-/m1/s1
InChIKey
FNRHWODWSBDOOY-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of Repinatrabit
CAS: 2837993-05-0
CID: 168510630
Formula: C18H22F4N4O3
MW: 418.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.4
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass418.16280322
Monoisotopic Mass418.16280322
Topological Polar Surface Area87.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity602
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

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