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Pasodacigib

CAT: 0804-HY-171051-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-171051-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DGKα-IN-9 (example 298) is an inhibitor of DGKα[1].
CAS Number
2648721-77-9
UNSPSC
12352005
Target
DGK
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Others
Purity
98.64
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C(C1=C(N2CCC(CC2)C3=NC4=C(O3)C=CC(C)=C4)C5=C(C=CC(F)=C5)N(C)C1=O)N
Molecular Formula
C24H23FN4O3
Molecular Weight
434.46
References & Citations
[1]Preparation of substituted aminoquinolones as DGKα inhibitors for immune activation. World Intellectual Property Organization, WO2021105117 A1 2021-06-03.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Pasodacigib
CAS Number2648721-77-9
PubChem CID156406585
IUPAC Name6-fluoro-1-methyl-4-[4-(5-methyl-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoquinoline-3-carboxamide
Molecular FormulaC24H23FN4O3
Molecular Weight434.5
XLogP3.6
Topological Polar Surface Area92.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity796
SMILES
CC1=CC2=C(C=C1)OC(=N2)C3CCN(CC3)C4=C(C(=O)N(C5=C4C=C(C=C5)F)C)C(=O)N
InChI
InChI=1S/C24H23FN4O3/c1-13-3-6-19-17(11-13)27-23(32-19)14-7-9-29(10-8-14)21-16-12-15(25)4-5-18(16)28(2)24(31)20(21)22(26)30/h3-6,11-12,14H,7-10H2,1-2H3,(H2,26,30)
InChIKey
MOHUWNQEDDJZJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pasodacigib
CAS: 2648721-77-9
CID: 156406585
Formula: C24H23FN4O3
MW: 434.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass434.17541877
Monoisotopic Mass434.17541877
Topological Polar Surface Area92.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity796
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

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