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Thi-DPPY

CAT: 0013-GTR19184599-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184599-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Thi-DPPY is a potent and orally active dual inhibitor of JAK3 (IC50: 1.38 nM) and BTK (IC50: 62.4 nM) . It demonstrates anti-proliferative effects in HBE cells in vitro and exhibits anti-inflammatory activity in vivo, showing research potential for idiopathic pulmonary fibrosis (IPF) and related inflammatory disease models.
CAS Number
2307699-34-7
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Smiles
O (C1=C2C (=NC (NC3=CC (Cl) =C (OCCCN4CCOCC4) C=C3) =N1) C=CS2) C5=CC (NC (C=C) =O) =CC=C5
Molecular Formula
C28H28ClN5O4S
Molecular Weight
566.07
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thi-DPPY
CAS Number2307699-34-7
PubChem CID156014173
IUPAC NameN-[3-[2-[3-chloro-4-(3-morpholin-4-ylpropoxy)anilino]thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
Molecular FormulaC28H28ClN5O4S
Molecular Weight566.1
XLogP5.4
Topological Polar Surface Area126
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count39
Formal Charge0
Complexity793
SMILES
C=CC(=O)NC1=CC(=CC=C1)OC2=NC(=NC3=C2SC=C3)NC4=CC(=C(C=C4)OCCCN5CCOCC5)Cl
InChI
InChI=1S/C28H28ClN5O4S/c1-2-25(35)30-19-5-3-6-21(17-19)38-27-26-23(9-16-39-26)32-28(33-27)31-20-7-8-24(22(29)18-20)37-13-4-10-34-11-14-36-15-12-34/h2-3,5-9,16-18H,1,4,10-15H2,(H,30,35)(H,31,32,33)
InChIKey
BZFLKUGURVDIAB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thi-DPPY
CAS: 2307699-34-7
CID: 156014173
Formula: C28H28ClN5O4S
MW: 566.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight566.1
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass565.1550533
Monoisotopic Mass565.1550533
Topological Polar Surface Area126 Ų
Heavy Atom Count39
Formal Charge0
Complexity793
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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