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APD597

CAT: 0127-BUP06329-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP06329-02Size:10 mg
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CAS Number
897732-93-3
Synonyms
JNJ-38431055
Purity
=98%
Smiles
COc1c(Nc2ccc(nc2C)S(C)(=O)=O)ncnc1OC1CCN(CC1)C(=O)OC(C)C

Chemical Information

Isopropyl 4-((5-methoxy-6-((2-methyl-6-(methylsulfonyl)pyridin-3-yl)amino)pyrimidin-4-yl)oxy)piperidine-1-carboxylate

JNJ-38431055 has been used in trials studying the treatment of Diabetes Mellitus, Type 2.

CAS Number897732-93-3
PubChem CID11691484
IUPAC Namepropan-2-yl 4-[5-methoxy-6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
Molecular FormulaC21H29N5O6S
Molecular Weight479.6
XLogP2.5
Topological Polar Surface Area141
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity740
SMILES
CC1=C(C=CC(=N1)S(=O)(=O)C)NC2=C(C(=NC=N2)OC3CCN(CC3)C(=O)OC(C)C)OC
InChI
InChI=1S/C21H29N5O6S/c1-13(2)31-21(27)26-10-8-15(9-11-26)32-20-18(30-4)19(22-12-23-20)25-16-6-7-17(24-14(16)3)33(5,28)29/h6-7,12-13,15H,8-11H2,1-5H3,(H,22,23,25)
InChIKey
WPDCHTSXOPUOII-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isopropyl 4-((5-methoxy-6-((2-methyl-6-(methylsulfonyl)pyridin-3-yl)amino)pyrimidin-4-yl)oxy)piperidine-1-carboxylate
CAS: 897732-93-3
CID: 11691484
Formula: C21H29N5O6S
MW: 479.6
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight479.6
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass479.18385484
Monoisotopic Mass479.18385484
Topological Polar Surface Area141 Ų
Heavy Atom Count33
Formal Charge0
Complexity740
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-15566-01APD597
A15452-50APD597 50mg
A15452-10APD597 10mg
MBS3841124-01APD597 (JNJ-38431055)
A15452-25APD597 (JNJ-38431055) 25mg
A15452-100APD597 (JNJ-38431055) 100mg
A15452-5APD597 (JNJ-38431055) 5mg
A15452-10mM-DAPD597 (JNJ-38431055) 10mM * 1mL in DMSO

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