Products for Research Use Only
RegisterLogin

PI3Kδ-IN-17

CAT: 0804-HY-149634Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-149634Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
PI3Kδ-IN-17 (Compound S5) is a potent inhibitor of PI3Kδ, with IC50 of 2.82 nM. PI3Kδ-IN-17 shows strong inhibitory activity of proliferation in SU-DHL-6 cells (IC50=0.035 μM) [1].
CAS Number
2768181-63-9
UNSPSC
12352005
Target
PI3K
Type
Reference compound
Related Pathways
PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/pi3kδ-in-17.html
Solubility
10 mM in DMSO
Smiles
O=C(N1C[C@@H](NC2=C3C(C=CC(C4=CC(C(F)(F)F)=C(OC)N=C4)=N3)=NC=N2)CC1)[C@H]5NCCC5
Molecular Formula
C23H24F3N7O2
Molecular Weight
487.48
References & Citations
[1]Huanrong Bai, et al. Discovery of novel pyrido[3,2-d]pyrimidine derivatives as selective and potent PI3Kδ inhibitors. Drug Dev Res. 2023 Sep 21.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CAS Number2768181-63-9
PubChem CID169450711
IUPAC Name[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
Molecular FormulaC23H24F3N7O2
Molecular Weight487.5
XLogP2.5
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity744
SMILES
COC1=C(C=C(C=N1)C2=NC3=C(C=C2)N=CN=C3N[C@H]4CCN(C4)C(=O)[C@@H]5CCCN5)C(F)(F)F
InChI
InChI=1S/C23H24F3N7O2/c1-35-21-15(23(24,25)26)9-13(10-28-21)16-4-5-17-19(32-16)20(30-12-29-17)31-14-6-8-33(11-14)22(34)18-3-2-7-27-18/h4-5,9-10,12,14,18,27H,2-3,6-8,11H2,1H3,(H,29,30,31)/t14-,18-/m0/s1
InChIKey
TXUGKPGKQQLPNM-KSSFIOAISA-N
Chemical Structure
2D Structure
2D structure of [(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CAS: 2768181-63-9
CID: 169450711
Formula: C23H24F3N7O2
MW: 487.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.5
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass487.19435752
Monoisotopic Mass487.19435752
Topological Polar Surface Area105 Ų
Heavy Atom Count35
Formal Charge0
Complexity744
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

Related Products

CatalogName
HY-174855PI3K/mTOR-IN-17
HY-170656PI3K/mTOR Inhibitor-17
HY-108418-01PI3Kδ-IN-15
HY-122593-01PI3Kδ-IN-5
HY-142677PI3K-IN-27
HY-136806PI3K-IN-12
HY-160282PI3K-IN-49
HY-156080PI3K-IN-48
HY-157125PI3Kα-IN-14
HY-150034-01PI3K-IN-38

Alternative Products

CatalogName
T87161-01PI3Kα-IN-17
GTR19218572-01PI3Kδ-IN-17
T210742-01PI3K/mTOR-IN-17
T204327-01PI3K/mTOR Inhibitor-17
YP-W200332-01Bovine PI3K (PI3K) ELISA Kit
YP-W63206-01Chicken PI3K (PI3K) ELISA Kit
abx236423PI3K P87 (PI3K p87) Antibody
abx037680-01Alpha (PI3K P85) (PI3K p85) Antibody
BA8725-1PI3K-IN-22
BA8769-10PI3Kδ-IN-5

Popular Products