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CGI-1746

CAT: 0013-GTR19174818-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174818-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CGI1746 is a potent and highly selective small-molecule inhibitor of Bruton's tyrosine kinase (Btk), exhibiting an IC50 of 1.9 nM. It is a valuable research tool for investigating Btk-related signaling in immunological and oncological research, applicable in both in vitro biochemical assays and in vivo disease models.
CAS Number
910232-84-7
Product Name Alternative
Inhibit, Inhibitor, Autophagy, Btk, BTK, Bruton tyrosine kinase, CGI1746, CGI-1746, CGI 1746
Field of Research
Cardiovascular Research, Cell Biology, Signal Transduction
Purity
97.69% (May vary between batches)
Solubility
H2O:< 1 mg/mL (insoluble or slightly soluble) ; Ethanol:33 mg/mL (56.93 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (5.69 mM) ; DMSO:95 mg/mL (163.88 mM)
Smiles
CC1=C (C=CC=C1NC (=O) C2=CC=C (C (C) (C) C) C=C2) C=3N=C (NC4=CC=C (C (=O) N5CCOCC5) C=C4) C (=O) N (C) C3
Molecular Formula
C34H37N5O4
Molecular Weight
579.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cgi1746

inhibits Bruton's protein kinase (Btk); structure in first source

CAS Number910232-84-7
PubChem CID24857323
IUPAC Name4-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
Molecular FormulaC34H37N5O4
Molecular Weight579.7
XLogP4.4
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count43
Formal Charge0
Complexity1070
SMILES
CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CN(C(=O)C(=N3)NC4=CC=C(C=C4)C(=O)N5CCOCC5)C
InChI
InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-13-25(14-10-23)34(2,3)4)29-21-38(5)33(42)30(36-29)35-26-15-11-24(12-16-26)32(41)39-17-19-43-20-18-39/h6-16,21H,17-20H2,1-5H3,(H,35,36)(H,37,40)
InChIKey
JIFCFQDXHMUPGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cgi1746
CAS: 910232-84-7
CID: 24857323
Formula: C34H37N5O4
MW: 579.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight579.7
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass579.28455468
Monoisotopic Mass579.28455468
Topological Polar Surface Area103 Ų
Heavy Atom Count43
Formal Charge0
Complexity1070
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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