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K 579

CAT: 0931-T22886-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T22886-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
440100-64-1
Target
Proteasome, Others
Related Pathways
Proteases/Proteasome, Others, Ubiquitination
Bioactivity
K 579 is a dipeptidyl peptidase IV inhibitor.
Smiles
N(CC(=O)N1[C@H](C#N)CCC1)C2(C)CCN(CC2)C=3N=CC=CN3
Molecular Formula
C17H24N6O
Molecular Weight
328.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Pyrrolidinecarbonitrile, 1-(((4-methyl-1-(2-pyrimidinyl)-4-piperidinyl)amino)acetyl)-
CAS Number440100-64-1
PubChem CID9818824
IUPAC Name(2S)-1-[2-[(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carbonitrile
Molecular FormulaC17H24N6O
Molecular Weight328.4
XLogP0.8
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity487
SMILES
CC1(CCN(CC1)C2=NC=CC=N2)NCC(=O)N3CCC[C@H]3C#N
InChI
InChI=1S/C17H24N6O/c1-17(21-13-15(24)23-9-2-4-14(23)12-18)5-10-22(11-6-17)16-19-7-3-8-20-16/h3,7-8,14,21H,2,4-6,9-11,13H2,1H3/t14-/m0/s1
InChIKey
JERPHRNGJBSFAP-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of 2-Pyrrolidinecarbonitrile, 1-(((4-methyl-1-(2-pyrimidinyl)-4-piperidinyl)amino)acetyl)-
CAS: 440100-64-1
CID: 9818824
Formula: C17H24N6O
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass328.20115941
Monoisotopic Mass328.20115941
Topological Polar Surface Area85.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity487
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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