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BMS-243117

CAT: 0013-GTR19195358-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195358-02Size:50 mg
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Description
BMS-243117 is a potent and selective LCK inhibitor, demonstrating cellular activity with an IC50 of 1.1 μM. It effectively suppresses T-cell proliferation, making it a valuable research tool for studying immunosuppression and autoimmune conditions like rheumatoid arthritis in both cellular and animal models.
CAS Number
225521-80-2
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
C (NC1=C (C) C=CC=C1Cl) (=O) C=2C=C3C (N=C (NC (NC (C) (C) C) =O) S3) =CC2
Molecular Formula
C20H21ClN4O2S
Molecular Weight
416.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bms-243117

structure in first source

CAS Number225521-80-2
PubChem CID9823235
IUPAC Name2-(tert-butylcarbamoylamino)-N-(2-chloro-6-methylphenyl)-1,3-benzothiazole-6-carboxamide
Molecular FormulaC20H21ClN4O2S
Molecular Weight416.9
XLogP4.5
Topological Polar Surface Area111
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity585
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC(C)(C)C
InChI
InChI=1S/C20H21ClN4O2S/c1-11-6-5-7-13(21)16(11)23-17(26)12-8-9-14-15(10-12)28-19(22-14)24-18(27)25-20(2,3)4/h5-10H,1-4H3,(H,23,26)(H2,22,24,25,27)
InChIKey
FIVXJBFMVDAATB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms-243117
CAS: 225521-80-2
CID: 9823235
Formula: C20H21ClN4O2S
MW: 416.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.9
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass416.1073748
Monoisotopic Mass416.1073748
Topological Polar Surface Area111 Ų
Heavy Atom Count28
Formal Charge0
Complexity585
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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