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TSPO ligand-2

CAT: 1410-M28491-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M28491-01Size:5 mg
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Description
TSPO ligand-2 is a ligand of AUTAC1 which contains a p-fluorobenzylguanine and a Fumagillol moiety.
CAS Number
1160640-95-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
447.48
Molecular Formula
C23H29NO8
Notes
Research use only, not for human use.
Receptor
DNA polymerase

Chemical Information

TSPO ligand-2
CAS Number1160640-95-8
PubChem CID57735815
IUPAC Name[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (4-nitrophenyl) carbonate
Molecular FormulaC23H29NO8
Molecular Weight447.5
XLogP4.1
Topological Polar Surface Area116
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity754
SMILES
CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)OC4=CC=C(C=C4)[N+](=O)[O-])OC)C
InChI
InChI=1S/C23H29NO8/c1-14(2)5-10-18-22(3,32-18)20-19(28-4)17(11-12-23(20)13-29-23)31-21(25)30-16-8-6-15(7-9-16)24(26)27/h5-9,17-20H,10-13H2,1-4H3/t17-,18-,19-,20-,22+,23+/m1/s1
InChIKey
APRLZHSZVREOFG-HUCDYXQFSA-N
Chemical Structure
2D Structure
2D structure of TSPO ligand-2
CAS: 1160640-95-8
CID: 57735815
Formula: C23H29NO8
MW: 447.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.5
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass447.18931688
Monoisotopic Mass447.18931688
Topological Polar Surface Area116 Ų
Heavy Atom Count32
Formal Charge0
Complexity754
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-150409-01TSPO ligand-2
T80928-01TSPO ligand-3
MBS5815707TSPO ligand-1
MBS5816517TSPO Ligand-Linker Conjugates 1
K3643503Tspo sgRNA CRISPR Lentivector (Mouse) (Target 2)
K7528003Tspo sgRNA CRISPR Lentivector (Rat) (Target 2)
K2543303TSPO sgRNA CRISPR Lentivector (Human) (Target 2)
K3643507Tspo sgRNA CRISPR/Cas9 All-in-One Lentivector (Mouse) (Target 2)
K7528007Tspo sgRNA CRISPR/Cas9 All-in-One Lentivector (Rat) (Target 2)
K2543307TSPO sgRNA CRISPR/Cas9 All-in-One Lentivector (Human) (Target 2)

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