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BLU0588

CAT: 0931-T60169-06Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T60169-06Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2810747-78-3
Target
Others, PKA
Related Pathways
Others, Tyrosine Kinase/Adaptors
Purity
0.9985
Bioactivity
BLU0588 is a selective PRKACA inhibitor. BLU0588 inhibits PRKACA catalytic activity with a half-maximal inhibitory concentration (IC50) of 1 nM.
Smiles
O=C(N[C@@H]1C2=C(C=CC=C2)C[C@H]1N1CCCC1)C1=CC=C(C2=C3C=CNC3=NC=C2)N=C1
Molecular Formula
C26H25N5O
Molecular Weight
423.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 164603520
CAS Number2810747-78-3
PubChem CID164603520
IUPAC NameN-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxamide
Molecular FormulaC26H25N5O
Molecular Weight423.5
XLogP3.3
Topological Polar Surface Area73.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity667
SMILES
C1CCN(C1)[C@@H]2CC3=CC=CC=C3[C@H]2NC(=O)C4=CN=C(C=C4)C5=C6C=CNC6=NC=C5
InChI
InChI=1S/C26H25N5O/c32-26(18-7-8-22(29-16-18)20-9-11-27-25-21(20)10-12-28-25)30-24-19-6-2-1-5-17(19)15-23(24)31-13-3-4-14-31/h1-2,5-12,16,23-24H,3-4,13-15H2,(H,27,28)(H,30,32)/t23-,24-/m1/s1
InChIKey
YXSWSKFLTNJZEO-DNQXCXABSA-N
Chemical Structure
2D Structure
2D structure of CID 164603520
CAS: 2810747-78-3
CID: 164603520
Formula: C26H25N5O
MW: 423.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.5
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass423.20591044
Monoisotopic Mass423.20591044
Topological Polar Surface Area73.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity667
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
GTR19213488-01BLU0588

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