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EE-Flipper 33

CAT: 0931-T87979-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T87979-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2804069-30-3
Target
Others
Related Pathways
Others
Bioactivity
EE-Flipper 33, a probe developed for investigating the early endocytosis mechanism, features a pKa of 10.6 and can track about 70% of early endosomes (EE) in live cells. Additionally, it labels the Golgi apparatus in live cells when the internal pH falls between 6.0 and 6.7.
Smiles
N#CC=1SC=2C=3SC(C=4SC=5C=6SC(=C(C6SC5C4C)C)COCC=7N=NN(C7)CCCCCCN)=C(C3S(=O)(=O)C2C1C)C
Molecular Formula
C31H31N5O3S6
Molecular Weight
714
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

EE-Flipper 33
CAS Number2804069-30-3
PubChem CID171714241
IUPAC Name10-[10-[[1-(6-aminohexyl)triazol-4-yl]methoxymethyl]-5,9-dimethyl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-5,9-dimethyl-7,7-dioxo-3,7lambda6,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-carbonitrile
Molecular FormulaC31H31N5O3S6
Molecular Weight714.0
XLogP6.4
Topological Polar Surface Area273
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Heavy Atom Count45
Formal Charge0
Complexity1230
SMILES
CC1=C(SC2=C1SC3=C2SC(=C3C)C4=C(C5=C(S4)C6=C(S5(=O)=O)C(=C(S6)C#N)C)C)COCC7=CN(N=N7)CCCCCCN
InChI
InChI=1S/C31H31N5O3S6/c1-15-21(14-39-13-19-12-36(35-34-19)10-8-6-5-7-9-32)41-26-22(15)42-24-17(3)23(43-27(24)26)25-18(4)31-29(44-25)28-30(45(31,37)38)16(2)20(11-33)40-28/h12H,5-10,13-14,32H2,1-4H3
InChIKey
HKGJIANAJNXAEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of EE-Flipper 33
CAS: 2804069-30-3
CID: 171714241
Formula: C31H31N5O3S6
MW: 714.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight714.0
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count11
Exact Mass713.07511691
Monoisotopic Mass713.07511691
Topological Polar Surface Area273 Ų
Heavy Atom Count45
Formal Charge0
Complexity1230
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes