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Mito-LND (Mito-Lonidamine)

CAT: 0957-E5927-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-E5927-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2361564-49-8
Synonyms
Mito-Lonidamine
Target
OXPHOS
Applications
Apoptosis
Smiles
O=C (NCCCCCCCCCC[P+] (C1=CC=CC=C1) (C2=CC=CC=C2) C3=CC=CC=C3) C4=NN (CC5=CC=C (Cl) C=C5Cl) C6=C4C=CC=C6.[Br-]
Molecular Formula
C43H45BrCl2N3OP
Additionnal Information
Mito-LND (Mito-Lonidamine) is an orally administered mitochondria-targeted compound that inhibits oxidative phosphorylation (OXPHOS) . This agent reduces mitochondrial bioenergetics, promotes reactive oxygen species generation, and triggers autophagic cell death in lung cancer cells.

Chemical Information

Mito-LND
CAS Number2361564-49-8
PubChem CID155977659
IUPAC Name10-[[1-[(2,4-dichlorophenyl)methyl]indazole-3-carbonyl]amino]decyl-triphenylphosphanium bromide
Molecular FormulaC43H45BrCl2N3OP
Molecular Weight801.6
Topological Polar Surface Area46.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Heavy Atom Count51
Formal Charge0
Complexity938
SMILES
C1=CC=C(C=C1)[P+](CCCCCCCCCCNC(=O)C2=NN(C3=CC=CC=C32)CC4=C(C=C(C=C4)Cl)Cl)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]
InChI
InChI=1S/C43H44Cl2N3OP.BrH/c44-35-29-28-34(40(45)32-35)33-48-41-27-17-16-26-39(41)42(47-48)43(49)46-30-18-5-3-1-2-4-6-19-31-50(36-20-10-7-11-21-36,37-22-12-8-13-23-37)38-24-14-9-15-25-38;/h7-17,20-29,32H,1-6,18-19,30-31,33H2;1H
InChIKey
XRSSFQSESARZNG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mito-LND
CAS: 2361564-49-8
CID: 155977659
Formula: C43H45BrCl2N3OP
MW: 801.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight801.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Exact Mass799.18607
Monoisotopic Mass799.18607
Topological Polar Surface Area46.9 Ų
Heavy Atom Count51
Formal Charge0
Complexity938
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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