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BLU2864

CAT: 0013-GTR19213487-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19213487-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BLU2864 is a potent and selective ATP-competitive inhibitor of PRKACA (IC50 = 0.3 nM) . It demonstrates anti-tumor activity in preclinical research, supporting its investigation for applications in oncology and polycystic kidney disease models, both in vitro and in vivo.
CAS Number
2810747-89-6
Product Name Alternative
BLU 2864, BLU2864, BLU-2864, PRKACA
Field of Research
Signal Transduction
Purity
97.58% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.42 mM) ; DMSO:50 mg/mL (110.51 mM)
Smiles
N (C (=O) C=1C=CC (=NC1) C2=C3C (NC=C3C) =NC=C2) [C@@H]4C=5C (=CC (C (F) F) =CC5F) C[C@@H]4O
Molecular Formula
C24H19F3N4O2
Molecular Weight
452.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 164603354
CAS Number2810747-89-6
PubChem CID164603354
IUPAC NameN-[(1R,2S)-5-(difluoromethyl)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
Molecular FormulaC24H19F3N4O2
Molecular Weight452.4
XLogP3.2
Topological Polar Surface Area90.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity715
SMILES
CC1=CNC2=NC=CC(=C12)C3=NC=C(C=C3)C(=O)N[C@H]4[C@H](CC5=C4C(=CC(=C5)C(F)F)F)O
InChI
InChI=1S/C24H19F3N4O2/c1-11-9-30-23-19(11)15(4-5-28-23)17-3-2-12(10-29-17)24(33)31-21-18(32)8-13-6-14(22(26)27)7-16(25)20(13)21/h2-7,9-10,18,21-22,32H,8H2,1H3,(H,28,30)(H,31,33)/t18-,21-/m0/s1
InChIKey
VRPOVDLLZCQZEG-RXVVDRJESA-N
Chemical Structure
2D Structure
2D structure of CID 164603354
CAS: 2810747-89-6
CID: 164603354
Formula: C24H19F3N4O2
MW: 452.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.4
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass452.14601035
Monoisotopic Mass452.14601035
Topological Polar Surface Area90.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity715
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T60170-01BLU2864

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