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Mito-CCY

CAT: 0931-T86901-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T86901-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2102192-83-4
Target
Others
Related Pathways
Others
Bioactivity
Mito-CCY, a mitochondria-targeted NIR-absorbing cryptocyanine probe, exhibits high photothermal conversion efficiency and good biological compatibility in vitro. Additionally, it demonstrates photoinduced cytotoxicity in HeLa cells [1].
Smiles
O=C(C1=CC=C(C=C1)CN2C3=CC=CC=C3/C(C=C2)=C/C=C/C4=CC=[N+](CC5=CC=C(C=C5)C(NCC[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)=O)C9=C4C=CC=C9)NCC[P+](C%10=CC=CC=C%10)(C%11=CC=CC=C%11)C%12=CC=CC=C%12.[Br-].[Br-].[Br-]
Molecular Formula
C77H67Br3N4O2P2
Molecular Weight
1382.04
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

triphenyl-[2-[[4-[[(4E)-4-[(E)-3-[1-[[4-(2-triphenylphosphaniumylethylcarbamoyl)phenyl]methyl]quinolin-1-ium-4-yl]prop-2-enylidene]quinolin-1-yl]methyl]benzoyl]amino]ethyl]phosphanium tribromide
CAS Number2102192-83-4
PubChem CID172653073
IUPAC Nametriphenyl-[2-[[4-[[(4E)-4-[(E)-3-[1-[[4-(2-triphenylphosphaniumylethylcarbamoyl)phenyl]methyl]quinolin-1-ium-4-yl]prop-2-enylidene]quinolin-1-yl]methyl]benzoyl]amino]ethyl]phosphanium tribromide
Molecular FormulaC77H67Br3N4O2P2
Molecular Weight1382.0
Topological Polar Surface Area65.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count20
Heavy Atom Count88
Formal Charge0
Complexity1890
SMILES
C1=CC=C(C=C1)[P+](CCNC(=O)C2=CC=C(C=C2)CN3C=C/C(=C\C=C\C4=CC=[N+](C5=CC=CC=C45)CC6=CC=C(C=C6)C(=O)NCC[P+](C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)/C1=CC=CC=C13)(C1=CC=CC=C1)C1=CC=CC=C1.[Br-].[Br-].[Br-]
InChI
InChI=1S/C77H65N4O2P2.3BrH/c82-76(78-52-56-84(66-26-7-1-8-27-66,67-28-9-2-10-29-67)68-30-11-3-12-31-68)64-46-42-60(43-47-64)58-80-54-50-62(72-38-19-21-40-74(72)80)24-23-25-63-51-55-81(75-41-22-20-39-73(63)75)59-61-44-48-65(49-45-61)77(83)79-53-57-85(69-32-13-4-14-33-69,70-34-15-5-16-35-70)71-36-17-6-18-37-71;;;/h1-51,54-55H,52-53,56-59H2;3*1H/q+1;;;/p-1
InChIKey
LOAIRUIRDMSFBC-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of triphenyl-[2-[[4-[[(4E)-4-[(E)-3-[1-[[4-(2-triphenylphosphaniumylethylcarbamoyl)phenyl]methyl]quinolin-1-ium-4-yl]prop-2-enylidene]quinolin-1-yl]methyl]benzoyl]amino]ethyl]phosphanium tribromide
CAS: 2102192-83-4
CID: 172653073
Formula: C77H67Br3N4O2P2
MW: 1382.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1382.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count20
Exact Mass1380.22689
Monoisotopic Mass1378.22894
Topological Polar Surface Area65.3 Ų
Heavy Atom Count88
Formal Charge0
Complexity1890
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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HY-D2215Mito-CCY
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C18321-5mgMito-LND (Mito-Lonidamine)
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C8299-1Mito-TRFS
BA3620-1Mito-LND
BA6176-5.1Mito-TEMPO
HY-D2295Mito-FerroGreen
7641/1 PACKMito-HE
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