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ZN148

CAT: 0013-GTR19263804-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263804-01Size:10 mg
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Description
ZN148 is a synthetic chelatable zinc metallo-β-lactamase (MBL) inhibitor that can reduce carbapenem resistance mediated by MBLs. It is capable of restoring the in vitro clinical sensitivity to carbapenems in over 98% of strains in an internationally large MBL-producing clinical Enterobacteriaceae strain collection. ZN148 is applicable for research on MBL-producing bacteria.
CAS Number
2190527-04-7
Field of Research
Infectious Disease & Virology
Smiles
N (CC1=CC=C (C (N (C[C@@H] ([C@H] ([C@@H] ([C@@H] (CO) O) O) O) O) C) =O) C=N1) (CC2=CC=CC=N2) CC3=CC=CC=N3
Molecular Formula
C26H33N5O6
Molecular Weight
511.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-({bis[(pyridin-2-yl)methyl]amino}methyl)-N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pyridine-3-carboxamide
CAS Number2190527-04-7
PubChem CID134274808
IUPAC Name6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pyridine-3-carboxamide
Molecular FormulaC26H33N5O6
Molecular Weight511.6
XLogP-2.1
Topological Polar Surface Area163
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Heavy Atom Count37
Formal Charge0
Complexity655
SMILES
CN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C(=O)C1=CN=C(C=C1)CN(CC2=CC=CC=N2)CC3=CC=CC=N3
InChI
InChI=1S/C26H33N5O6/c1-30(16-22(33)24(35)25(36)23(34)17-32)26(37)18-8-9-21(29-12-18)15-31(13-19-6-2-4-10-27-19)14-20-7-3-5-11-28-20/h2-12,22-25,32-36H,13-17H2,1H3/t22-,23+,24+,25+/m0/s1
InChIKey
YDMPBIVRJWWDAB-ZYQDXHPFSA-N
Chemical Structure
2D Structure
2D structure of 6-({bis[(pyridin-2-yl)methyl]amino}methyl)-N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pyridine-3-carboxamide
CAS: 2190527-04-7
CID: 134274808
Formula: C26H33N5O6
MW: 511.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight511.6
XLogP3-2.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Exact Mass511.24308379
Monoisotopic Mass511.24308379
Topological Polar Surface Area163 Ų
Heavy Atom Count37
Formal Charge0
Complexity655
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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