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(R) -Elsubrutinib

CAT: 0804-HY-109143B-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-109143B-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(R) -Elsubrutinib ((R) -ABBV-105) is a Btk inhibitor. (R) -Elsubrutinib can be used in studies of immune diseases (such as rheumatoid arthritis, psoriasis, ankylosing spondylitis, asthma, systemic lupus erythematosus) and cancer[1].
CAS Number
1643570-23-3
Product Name Alternative
(R) -ABBV-105
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/r-elsubrutinib.html
Purity
98.0
Solubility
DMSO : 25 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(C1=CC=C([C@@H]2CN(C(C=C)=O)CCC2)C3=C1NC=C3)N
Molecular Formula
C17H19N3O2
Molecular Weight
297.35
References & Citations
[1]Dominique Bonafoux, et al. Primary carboxamides as Btk inhibitors. Patent WO2014210255Al.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(R)-Elsubrutinib
CAS Number1643570-23-3
PubChem CID117773886
IUPAC Name4-[(3R)-1-prop-2-enoylpiperidin-3-yl]-1H-indole-7-carboxamide
Molecular FormulaC17H19N3O2
Molecular Weight297.35
XLogP1.6
Topological Polar Surface Area79.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity465
SMILES
C=CC(=O)N1CCC[C@@H](C1)C2=C3C=CNC3=C(C=C2)C(=O)N
InChI
InChI=1S/C17H19N3O2/c1-2-15(21)20-9-3-4-11(10-20)12-5-6-14(17(18)22)16-13(12)7-8-19-16/h2,5-8,11,19H,1,3-4,9-10H2,(H2,18,22)/t11-/m0/s1
InChIKey
UNHZLHSLZZWMNP-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of (R)-Elsubrutinib
CAS: 1643570-23-3
CID: 117773886
Formula: C17H19N3O2
MW: 297.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.35
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass297.147726857
Monoisotopic Mass297.147726857
Topological Polar Surface Area79.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity465
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

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