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G-744

CAT: 0013-GTR19203317-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203317-03Size:100 mg
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Description
G-744 is a potent, selective, and orally bioavailable Btk inhibitor with an IC50 of 2 nM, demonstrating metabolic stability. It has shown efficacy in arthritis models, making it a valuable tool for investigating Btk-related pathways in autoimmune and inflammatory disease research, both in vitro and in vivo.
CAS Number
1346669-54-2
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
O=C1C2=C (C3=C (S2) CC (C) (C) C3) CCN1C4=C (CO) C (=CC=C4) C=5C=C (NC=6C=CN=CN6) C (=O) N (C) C5
Molecular Formula
C29H29N5O3S
Molecular Weight
527.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(2-(Hydroxymethyl)-3-(1-methyl-6-oxo-5-(pyrimidin-4-ylamino)-1,6-dihydropyridin-3-yl)phenyl)-6,6-dimethyl-3,4,6,7-tetrahydro-2h-cyclopenta[4,5]thieno[2,3-c]pyridin-1(5h)-one
CAS Number1346669-54-2
PubChem CID54596723
IUPAC Name10-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-(pyrimidin-4-ylamino)-3-pyridinyl]phenyl]-4,4-dimethyl-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-9-one
Molecular FormulaC29H29N5O3S
Molecular Weight527.6
XLogP3.6
Topological Polar Surface Area127
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count38
Formal Charge0
Complexity1010
SMILES
CC1(CC2=C(C1)SC3=C2CCN(C3=O)C4=CC=CC(=C4CO)C5=CN(C(=O)C(=C5)NC6=NC=NC=C6)C)C
InChI
InChI=1S/C29H29N5O3S/c1-29(2)12-20-19-8-10-34(28(37)26(19)38-24(20)13-29)23-6-4-5-18(21(23)15-35)17-11-22(27(36)33(3)14-17)32-25-7-9-30-16-31-25/h4-7,9,11,14,16,35H,8,10,12-13,15H2,1-3H3,(H,30,31,32)
InChIKey
QAESSIFTPVEYRY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-(Hydroxymethyl)-3-(1-methyl-6-oxo-5-(pyrimidin-4-ylamino)-1,6-dihydropyridin-3-yl)phenyl)-6,6-dimethyl-3,4,6,7-tetrahydro-2h-cyclopenta[4,5]thieno[2,3-c]pyridin-1(5h)-one
CAS: 1346669-54-2
CID: 54596723
Formula: C29H29N5O3S
MW: 527.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.6
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass527.19911098
Monoisotopic Mass527.19911098
Topological Polar Surface Area127 Ų
Heavy Atom Count38
Formal Charge0
Complexity1010
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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HY-102036G-744
A20227-25G-744 25mg
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A20227-50G-744 50mg
A20227-10G-744 10mg
A20227-5G-744 5mg
A20227-1G-744 1mg
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