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5-C-heptyl-DNJ

CAT: 0804-HY-144124Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-144124Size:1 Each
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Description
5-heptyl-DNJ is a potent GAA agonist with a Ki of 0.0047 μM. 5-C-heptyl-DNJ increases GAA activities by chaperrone effects[1].
CAS Number
2734265-63-3
UNSPSC
12352005
Target
Glycosidase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/5-c-heptyl-dnj.html
Solubility
10 mM in DMSO
Smiles
CCCCCCC[C@]1([C@H]([C@@H]([C@H](CN1)O)O)O)CO
Molecular Formula
C13H27NO4
Molecular Weight
261.36
References & Citations
[1]Atsushi Kato, et al. 5- C-Branched Deoxynojirimycin: Strategy for Designing a 1-Deoxynojirimycin-Based Pharmacological Chaperone with a Nanomolar Affinity for Pompe Disease. J Med Chem. 2022 Feb 10;65 (3) :2329-2341.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

5-C-heptyl-DNJ
CAS Number2734265-63-3
PubChem CID163196350
IUPAC Name(2R,3R,4R,5S)-2-heptyl-2-(hydroxymethyl)piperidine-3,4,5-triol
Molecular FormulaC13H27NO4
Molecular Weight261.36
XLogP0.9
Topological Polar Surface Area93
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count18
Formal Charge0
Complexity239
SMILES
CCCCCCC[C@]1([C@H]([C@@H]([C@H](CN1)O)O)O)CO
InChI
InChI=1S/C13H27NO4/c1-2-3-4-5-6-7-13(9-15)12(18)11(17)10(16)8-14-13/h10-12,14-18H,2-9H2,1H3/t10-,11+,12-,13+/m0/s1
InChIKey
WJOJINIVTKXXQI-QNWHQSFQSA-N
Chemical Structure
2D Structure
2D structure of 5-C-heptyl-DNJ
CAS: 2734265-63-3
CID: 163196350
Formula: C13H27NO4
MW: 261.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.36
XLogP30.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass261.19400834
Monoisotopic Mass261.19400834
Topological Polar Surface Area93 Ų
Heavy Atom Count18
Formal Charge0
Complexity239
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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