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Cinsebrutinib

CAT: 0013-GTR19230214-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230214-02Size:50 mg
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Description
Cinsebrutinib is a potent and selective Bruton's tyrosine kinase (BTK) inhibitor for research use. It is employed in preclinical studies to investigate B-cell receptor signaling pathways, with applications in hematological malignancy research both in vitro and in vivo.
CAS Number
2724962-58-5
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
FC=1C (=C2C (=C (C (N) =O) C1) NC3=C2CCCCC3) [C@H]4CN (C (C=C) =O) CCC4
Molecular Formula
C22H26FN3O2
Molecular Weight
383.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cinsebrutinib

Cinsebrutinib is a small molecule drug. The usage of the INN stem '-brutinib' in the name indicates that Cinsebrutinib is a agammaglobulinaemia tyrosine kinase (Bruton tyrosine kinase) inhibitor. Cinsebrutinib has a monoisotopic molecular weight of 383.2 Da.

CAS Number2724962-58-5
PubChem CID156888508
IUPAC Name2-fluoro-1-[(3S)-1-prop-2-enoylpiperidin-3-yl]-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxamide
Molecular FormulaC22H26FN3O2
Molecular Weight383.5
XLogP3.4
Topological Polar Surface Area79.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity627
SMILES
C=CC(=O)N1CCC[C@H](C1)C2=C(C=C(C3=C2C4=C(N3)CCCCC4)C(=O)N)F
InChI
InChI=1S/C22H26FN3O2/c1-2-18(27)26-10-6-7-13(12-26)19-16(23)11-15(22(24)28)21-20(19)14-8-4-3-5-9-17(14)25-21/h2,11,13,25H,1,3-10,12H2,(H2,24,28)/t13-/m1/s1
InChIKey
NEHJPDSXWUIXGI-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of Cinsebrutinib
CAS: 2724962-58-5
CID: 156888508
Formula: C22H26FN3O2
MW: 383.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.5
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass383.20090524
Monoisotopic Mass383.20090524
Topological Polar Surface Area79.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity627
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-156604Cinsebrutinib

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