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T5923555

CAT: 0013-GTR19208511-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208511-02Size:50 mg
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Description
T5923555 is a potent and selective small molecule inhibitor targeting Janus kinase 1 (JAK1) . It is a valuable research tool for investigating JAK-STAT signaling pathways in both cellular assays and animal models of inflammation and autoimmune diseases.
CAS Number
923128-89-6
Smiles
COC1=C (NCCN2C (C) =C (C) N3C2=NC2=C3C (=O) NC (=O) N2C) C=C (Cl) C=C1
Molecular Formula
C19H21ClN6O3
Molecular Weight
416.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

8-(2-((5-chloro-2-methoxyphenyl)amino)ethyl)-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS Number923128-89-6
PubChem CID16424437
IUPAC Name6-[2-(5-chloro-2-methoxyanilino)ethyl]-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
Molecular FormulaC19H21ClN6O3
Molecular Weight416.9
XLogP3.3
Topological Polar Surface Area92.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity653
SMILES
CC1=C(N2C3=C(N=C2N1CCNC4=C(C=CC(=C4)Cl)OC)N(C(=O)NC3=O)C)C
InChI
InChI=1S/C19H21ClN6O3/c1-10-11(2)26-15-16(24(3)19(28)23-17(15)27)22-18(26)25(10)8-7-21-13-9-12(20)5-6-14(13)29-4/h5-6,9,21H,7-8H2,1-4H3,(H,23,27,28)
InChIKey
PZJUBTNURGPGSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(2-((5-chloro-2-methoxyphenyl)amino)ethyl)-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS: 923128-89-6
CID: 16424437
Formula: C19H21ClN6O3
MW: 416.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.9
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass416.1363662
Monoisotopic Mass416.1363662
Topological Polar Surface Area92.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity653
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

Alternative Products

CatalogName
T71719-01T5923555

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