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CKD-711

CAT: 0013-GTR19273555-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273555-01Size:50 mg
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Description
CKD-711 is an orally active aminooligosaccharide α-glucosidase inhibitor with an IC50 value of 78 μg/mL. It also inhibits porcine intestinal maltase and sucrase, with IC50 values of 2.5 and 0.5 μg/mL, respectively. CKD-711 exhibits selective antibacterial activity against Comamonas terrigena and is applicable in research on infections and metabolic disorders such as diabetes.
CAS Number
445010-62-8
Smiles
C (O) [C@]12[C@] (O1) ([C@H] (N[C@@H]3[C@@H] (CO) O[C@H] (O[C@@H]4[C@@H] (CO) O[C@H] (O[C@@H] ([C@@H] ([C@H] (C=O) O) O) [C@@H] (CO) O) [C@H] (O) [C@H]4O) [C@H] (O) [C@H]3O) [C@H] (O) [C@@H] (O) [C@@H]2O) [H]
Molecular Formula
C25H43NO20
Molecular Weight
677.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(1R,2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-2-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
CAS Number445010-62-8
PubChem CID9961483
IUPAC Name(2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(1R,2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-2-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
Molecular FormulaC25H43NO20
Molecular Weight677.6
XLogP-9.5
Topological Polar Surface Area362
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count21
Rotatable Bond Count14
Heavy Atom Count46
Formal Charge0
Complexity999
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O)N[C@@H]3[C@@H]([C@H]([C@@H]([C@]4([C@@H]3O4)CO)O)O)O)O
InChI
InChI=1S/C25H43NO20/c27-1-6(32)12(34)19(7(33)2-28)44-24-18(40)15(37)20(9(4-30)43-24)45-23-17(39)13(35)10(8(3-29)42-23)26-11-14(36)16(38)21(41)25(5-31)22(11)46-25/h1,6-24,26,28-41H,2-5H2/t6-,7+,8+,9+,10+,11+,12+,13-,14-,15+,16+,17+,18+,19+,20+,21-,22+,23+,24+,25-/m0/s1
InChIKey
ZMFYXLYDFOQLDO-NVGHVDPISA-N
Chemical Structure
2D Structure
2D structure of (2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(1R,2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-2-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
CAS: 445010-62-8
CID: 9961483
Formula: C25H43NO20
MW: 677.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight677.6
XLogP3-9.5
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count21
Rotatable Bond Count14
Exact Mass677.23784276
Monoisotopic Mass677.23784276
Topological Polar Surface Area362 Ų
Heavy Atom Count46
Formal Charge0
Complexity999
Isotope Atom Count0
Defined Atom Stereocenter Count20
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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