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Norbatzelladine L

CAT: 0013-GTR19212639-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212639-01Size:25 mg
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Description
Norbatzelladine L is a potent inhibitor of the Pdr5p transporter, suppressing its ATPase activity with an IC50 of 3.8 μM. This small molecule exhibits broad-spectrum biological activity, making it a valuable research tool for studying multidrug resistance in fungi and for in vitro investigations in antimicrobial and anticancer research.
CAS Number
1187954-93-3
Field of Research
Infectious Disease & Virology
Smiles
C (O[C@@H] (CCCCCCC[C@@H]1C[C@]2 (N3C (=N1) N[C@@H] (C) C[C@]3 (CC2) [H]) [H]) C) (=O) [C@@H]4[C@]5 (N6C (N[C@H] (CCCCCCCC) C[C@@]6 (CC5) [H]) =N[C@@H]4C) [H]
Molecular Formula
C38H66N6O2
Molecular Weight
638.97
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

norbatzelladine L
CAS Number1187954-93-3
PubChem CID44480729
IUPAC Name[(2R)-9-[(1R,4S,6R,10S)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-en-6-yl]nonan-2-yl] (1S,4S,5S,6R,10R)-6-methyl-10-octyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate
Molecular FormulaC38H66N6O2
Molecular Weight639.0
XLogP8.3
Topological Polar Surface Area81.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count18
Heavy Atom Count46
Formal Charge0
Complexity1060
SMILES
CCCCCCCC[C@@H]1C[C@@H]2CC[C@@H]3N2C(=N[C@@H]([C@@H]3C(=O)O[C@H](C)CCCCCCC[C@@H]4C[C@@H]5CC[C@H]6N5C(=N4)N[C@H](C6)C)C)N1
InChI
InChI=1S/C38H66N6O2/c1-5-6-7-8-11-14-18-30-25-33-21-22-34-35(28(4)40-38(42-30)44(33)34)36(45)46-27(3)16-13-10-9-12-15-17-29-24-32-20-19-31-23-26(2)39-37(41-29)43(31)32/h26-35H,5-25H2,1-4H3,(H,39,41)(H,40,42)/t26-,27+,28+,29+,30+,31+,32-,33-,34-,35-/m0/s1
InChIKey
HGZBYTYKEVODQE-CUTDAANYSA-N
Chemical Structure
2D Structure
2D structure of norbatzelladine L
CAS: 1187954-93-3
CID: 44480729
Formula: C38H66N6O2
MW: 639.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight639.0
XLogP38.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count18
Exact Mass638.52472537
Monoisotopic Mass638.52472537
Topological Polar Surface Area81.6 Ų
Heavy Atom Count46
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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