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TYM-3-98

CAT: 0013-GTR19262424-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19262424-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TYM-3-98 is a novel, selective PI3Kδ inhibitor (IC50=7.1 nM) . It induces apoptosis by blocking PI3K/AKT/mTOR signaling in B-cell lymphoma models.
CAS Number
2820244-59-3
Field of Research
Signal Transduction
Purity
99.74% (May vary between batches)
Smiles
O=S (=O) (C=1C=CC=C (C1) N2N=C (C=3C=CC (Cl) =CC32) C (N4N=C (C=5C=CC (OC) =C (F) C5) C=6C (=NC=NC64) N) C) C
Molecular Formula
C28H23ClFN7O3S
Molecular Weight
592.05
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[1-[6-Chloro-1-(3-methylsulfonylphenyl)indazol-3-yl]ethyl]-3-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CAS Number2820244-59-3
PubChem CID164520914
IUPAC Name1-[1-[6-chloro-1-(3-methylsulfonylphenyl)indazol-3-yl]ethyl]-3-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Molecular FormulaC28H23ClFN7O3S
Molecular Weight592.0
XLogP4.8
Topological Polar Surface Area139
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity1030
SMILES
CC(C1=NN(C2=C1C=CC(=C2)Cl)C3=CC(=CC=C3)S(=O)(=O)C)N4C5=NC=NC(=C5C(=N4)C6=CC(=C(C=C6)OC)F)N
InChI
InChI=1S/C28H23ClFN7O3S/c1-15(36-28-24(27(31)32-14-33-28)26(35-36)16-7-10-23(40-2)21(30)11-16)25-20-9-8-17(29)12-22(20)37(34-25)18-5-4-6-19(13-18)41(3,38)39/h4-15H,1-3H3,(H2,31,32,33)
InChIKey
NKLIITQXKFRLOS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[1-[6-Chloro-1-(3-methylsulfonylphenyl)indazol-3-yl]ethyl]-3-(3-fluoro-4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CAS: 2820244-59-3
CID: 164520914
Formula: C28H23ClFN7O3S
MW: 592.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight592.0
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass591.1255647
Monoisotopic Mass591.1255647
Topological Polar Surface Area139 Ų
Heavy Atom Count41
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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