Products for Research Use Only
RegisterLogin

PARPi-FL

CAT: 0931-T24597-05Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T24597-05Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1380359-84-1
Target
PARP
Related Pathways
DNA Damage/DNA Repair, Chromatin/Epigenetic
Purity
0.9973
Bioactivity
PARPi-FL (PARPiFL) is a fluorescent PARP1 inhibitor used for imaging glioblastoma and detecting oral cancer.
Smiles
O=C1NN=C(CC2=CC=C(C(C(N3CCN(CC3)C(CCC4=CC=C5C=C6C(C)=CC(C)=[N+]6[B-](F)(N54)F)=O)=O)=C2)F)C7=C1C=CC=C7
Molecular Formula
C34H32BF3N6O3
Molecular Weight
640.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Olaparib-bodipy FL

Olaparib-bodipy FL is under investigation in clinical trial NCT03085147 (A Dye for the Detection of Cancer of the Tongue and Mouth).

CAS Number1380359-84-1
PubChem CID70697686
IUPAC Name4-[[3-[4-[3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
Molecular FormulaC34H32BF3N6O3
Molecular Weight640.5
Topological Polar Surface Area90
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count47
Formal Charge0
Complexity1430
SMILES
[B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)N4CCN(CC4)C(=O)C5=C(C=CC(=C5)CC6=NNC(=O)C7=CC=CC=C76)F)C)C)(F)F
InChI
InChI=1S/C34H32BF3N6O3/c1-21-17-22(2)43-31(21)20-25-9-8-24(44(25)35(43,37)38)10-12-32(45)41-13-15-42(16-14-41)34(47)28-18-23(7-11-29(28)36)19-30-26-5-3-4-6-27(26)33(46)40-39-30/h3-9,11,17-18,20H,10,12-16,19H2,1-2H3,(H,40,46)
InChIKey
IGUTVNUEFKPBGK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Olaparib-bodipy FL
CAS: 1380359-84-1
CID: 70697686
Formula: C34H32BF3N6O3
MW: 640.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight640.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass640.2581036
Monoisotopic Mass640.2581036
Topological Polar Surface Area90 Ų
Heavy Atom Count47
Formal Charge0
Complexity1430
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

Related Products

CatalogName
T87108-01Parpi
T66518-01BODIPY-FL
T210913-01FL-166
T4365-01FL-411
T86432-01Fl-DIBO
T85876-01BODIPY FL C5
T85829-01BDP FL tetrazine
T82840-01BODIPY FL-X
T41171-01BODIPY FL VH032
T207778-01BI 2852 FL

Alternative Products

CatalogName
BUP17333-01PARPi-FL
GTR19302448-01Parpi
ABC-TC0253FL
C8219-1Fl-DIBO
BA4718-50FL-411
HY-171781FL-166
GTR18002626FL Antibody
GTR19243800-01BODIPY-FL
TJD94488-01FL 411
MBS8535027-01GFP (FL)

Popular Products