IC-87114 - ≥98%, high purity , CAS No.371242-69-2, Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit delta

In stock
Item Number
I126757
Grouped product items
SKUSizeAvailabilityPrice Qty
I126757-5mg
5mg
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$64.90
I126757-25mg
25mg
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$292.90
I126757-100mg
100mg
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$474.90

Basic Description

SynonymsDexmethylphenidate (INN) | BCP01922 | CS-0184 | SB10967 | JTT501 | NCGC00168114-01 | UNII-9HC746B1KF | 2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one | 2-(6-Aminopurin-9-ylmethyl)-5-methyl-3-o-tolyl-3H-quinazolin-4-one | BiomolK
Specifications & PurityMoligand™, ≥98%
Biochemical and Physiological MechanismsIC-87114 selectively inhibits PI3Kδ, and is not sensitive to PI3Kα, β, or γ. In human neutrophils, IC-87114 (5 μM) potently inhibits N-formyl-methionyl-leucyl-phenylalanine (fMLP)-stimulated phosphatidylinositol triphosphate (PIP3) biosynthesis and chemot
Storage TempStore at -20°C
Shipped InIce chest + Ice pads
GradeMoligand™
Action TypeINHIBITOR
Mechanism of actionInhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit delta
Product Description

IC-87114 is a selective PI3Kδ inhibitor with IC50 of 0.5 μM in a cell-free assay, 58-fold more selective for PI3Kδ than PI3Kγ, and over 100-fold more selective than PI3Kα/β
A PI3K inhibitor with action against fMLP-PIP3

Associated Targets(Human)

PIK3CD Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PIK3CD Tclin PI3-kinase p110-delta subunit (6699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIK3CG Tclin PI3-kinase p110-gamma subunit (5411 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIK3CB Tchem PI3-kinase p110-beta subunit (4044 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
COLO 205 (50209 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HL-60 (67320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIK3R1 Tchem PI3-kinase p110-delta/p85-alpha (1508 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

PIK3CA PI3-kinase p110-alpha subunit (51 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Names and Identifiers

IUPAC Name 2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
INCHI InChI=1S/C22H19N7O/c1-13-6-3-4-9-16(13)29-17(27-15-8-5-7-14(2)18(15)22(29)30)10-28-12-26-19-20(23)24-11-25-21(19)28/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25)
InChi Key GNWHRHGTIBRNSM-UHFFFAOYSA-N
Canonical SMILES CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N
Isomeric SMILES CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N
PubChem CID 9908783
Molecular Weight 397.43

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

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Lot NumberCertificate TypeDateItem
E1705097Certificate of AnalysisDec 08, 2022 I126757

Chemical and Physical Properties

SolubilityDMSO ≥4.8mg/mL Water <1.2mg/mL Ethanol <1.2mg/mL
Molecular Weight397.400 g/mol
XLogP32.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass397.165 Da
Monoisotopic Mass397.165 Da
Topological Polar Surface Area102.000 Ų
Heavy Atom Count30
Formal Charge0
Complexity684.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1

Specifications

References

1. Sadhu C, Masinovsky B, Dick K, Sowell CG, Staunton DE.  (2003)  Essential role of phosphoinositide 3-kinase delta in neutrophil directional movement..  J Immunol,  170  (5): (2647-54).  [PMID:12594293] [10.1021/op500134e]
2. Knight ZA, Shokat KM.  (2005)  Features of selective kinase inhibitors..  Chem Biol,  12  (6): (621-37).  [PMID:15975507] [10.1021/op500134e]

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