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JNJ-64264681

CAT: 0804-HY-153245-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-153245-01Size:5 mg
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Description
JNJ-64264681 is a potent, orally active, selective and irreversible covalent BTK inhibitor. JNJ-64264681 exhibits good pharmacokinetic characteristics and can be used for cancer and autoimmune diseases research[1].
CAS Number
2101524-34-7
UNSPSC
12352005
Target
Btk
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/jnj-64264681.html
Purity
98.14
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
C=CC(N[C@@H](CCC1)[C@@H]1NC(C2=C3C4=C(C=CN=C4S2)N(C5=CN=C(CC(C)C)C=C5C)C(N3)=O)=O)=O
Molecular Formula
C27H30N6O3S
Molecular Weight
518.63
References & Citations
[1]Mark S Tichenor, et al. Discovery of JNJ-64264681: A Potent and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2022 Nov 10;65 (21) :14326-14336.|[2]Mark S Tichenor, et al. Discovery of JNJ-64264681: A Potent and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2022 Nov 10;65 (21) :14326-14336.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

Jnj-64264681

BTK Inhibitor JNJ-64264681 is an orally bioavailable and irreversible covalent inhibitor of Bruton's tyrosine kinase (BTK), with potential antineoplastic activity. Upon administration, BTK inhibitor JNJ-64264681 targets, binds to and inhibits the activity of BTK and prevents the activation of the B-cell antigen receptor (BCR) signaling pathway. This prevents both B-cell activation and BTK-mediated activation of downstream survival pathways. This leads to an inhibition of the growth of malignant B cells that overexpress BTK. BTK, a member of the src-related BTK/Tec family of cytoplasmic tyrosine kinases, is overexpressed in B-cell malignancies; it plays an important role in B lymphocyte development, activation, signaling, proliferation and survival.

CAS Number2101524-34-7
PubChem CID129234005
IUPAC Name7-[4-methyl-6-(2-methylpropyl)-3-pyridinyl]-6-oxo-N-[(1R,2S)-2-(prop-2-enoylamino)cyclopentyl]-2-thia-5,7,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide
Molecular FormulaC27H30N6O3S
Molecular Weight518.6
XLogP4
Topological Polar Surface Area145
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity901
SMILES
CC1=CC(=NC=C1N2C3=C4C(=C(SC4=NC=C3)C(=O)N[C@@H]5CCC[C@@H]5NC(=O)C=C)NC2=O)CC(C)C
InChI
InChI=1S/C27H30N6O3S/c1-5-21(34)30-17-7-6-8-18(17)31-25(35)24-23-22-19(9-10-28-26(22)37-24)33(27(36)32-23)20-13-29-16(11-14(2)3)12-15(20)4/h5,9-10,12-14,17-18H,1,6-8,11H2,2-4H3,(H,30,34)(H,31,35)(H,32,36)/t17-,18+/m0/s1
InChIKey
OPLNLPWGEZNZFL-ZWKOTPCHSA-N
Chemical Structure
2D Structure
2D structure of Jnj-64264681
CAS: 2101524-34-7
CID: 129234005
Formula: C27H30N6O3S
MW: 518.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.6
XLogP34
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass518.21001001
Monoisotopic Mass518.21001001
Topological Polar Surface Area145 Ų
Heavy Atom Count37
Formal Charge0
Complexity901
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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