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Mitochondrial respiration-IN-2

CAT: 0013-GTR19212995-01Size: 25 mgDry Ice: NoHazardous: No
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Description
Mitochondrial respiration-IN-2 is a fluorinated analog of Virginiamycin M1. It functions by suppressing mitochondrial protein synthesis, specifically targeting glioblastoma stem cells in research settings. This activity makes it a useful tool for studying mitochondrial metabolism and oncology in vitro.
CAS Number
318498-81-6
Smiles
CC1=C/[C@H] (C[C@H] (CC2=NC (C (N3CCC=C3C (O[C@@H] ([C@@H] (/C=C/C (NC/C=C/1) =O) C) C (C) C) =O) =O) =CO2) F) O
Molecular Formula
C28H36FN3O6
Molecular Weight
529.60
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(10R,11R,12Z,17Z,19Z,21S,23R)-23-fluoro-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14-trione
CAS Number318498-81-6
PubChem CID171666272
IUPAC Name(10R,11R,12Z,17Z,19Z,21S,23R)-23-fluoro-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14-trione
Molecular FormulaC28H36FN3O6
Molecular Weight529.6
XLogP3.8
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Heavy Atom Count38
Formal Charge0
Complexity991
SMILES
C[C@@H]1/C=C\C(=O)NC/C=C\C(=C/[C@H](C[C@H](CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)F)O)\C
InChI
InChI=1S/C28H36FN3O6/c1-17(2)26-19(4)9-10-24(34)30-11-5-7-18(3)13-21(33)14-20(29)15-25-31-22(16-37-25)27(35)32-12-6-8-23(32)28(36)38-26/h5,7-10,13,16-17,19-21,26,33H,6,11-12,14-15H2,1-4H3,(H,30,34)/b7-5-,10-9-,18-13-/t19-,20-,21-,26-/m1/s1
InChIKey
XVFONGDXBMJZOV-XLEHPGHPSA-N
Chemical Structure
2D Structure
2D structure of (10R,11R,12Z,17Z,19Z,21S,23R)-23-fluoro-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14-trione
CAS: 318498-81-6
CID: 171666272
Formula: C28H36FN3O6
MW: 529.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.6
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Exact Mass529.25881404
Monoisotopic Mass529.25881404
Topological Polar Surface Area122 Ų
Heavy Atom Count38
Formal Charge0
Complexity991
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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