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tolebrutinib , Tyrosine-protein kinase BTK inhibitor, CAS No.1971920-73-6, Tyrosine-protein kinase BTK inhibitor

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tolebrutinib , Tyrosine-protein kinase BTK inhibitor, CAS No.1971920-73-6, Tyrosine-protein kinase BTK inhibitor

Moligand™

CAS#: 1971920-73-6
Formula: C₂₆H₂₅N₅O₃
Molecular Weight: 455.5
PubChem CID: 124111565

Item Number

T614499

Grouped product items
SKU	Size	Availability	Price	Qty
T614499-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$316.90
T614499-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$948.90

View related series

Bruton tyrosine kinase Inhibitor

Basic Description

Synonyms	BDBM50557487 \| 1971920-73-6 \| MS-28304 \| 2H-Imidazo(4,5-C)pyridin-2-one, 4-amino-1,3-dihydro-1-((3R)-1-(1-oxo-2-propen-1-yl)-3-piperidinyl)-3-(4-phenoxyphenyl)- \| 8CZ82ZYY9X \| example 3 [WO2016196840A1] \| 4-amino-3-(4-phenoxyphenyl)-1-[(3R)-1-(prop-2-enoy
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Tyrosine-protein kinase BTK inhibitor

Product Properties

ALogP	3.2

Associated Targets(Human)

BTK Tclin Tyrosine-protein kinase BTK (1 Activities)

Discover Target: BTK

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BTK Tclin Tyrosine-protein kinase BTK (8973 Activities)

Discover Target: BTK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Tec Tyrosine-protein kinase TEC (25 Activities)

Discover Target: Tec

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	4-amino-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one
INCHI	InChI=1S/C26H25N5O3/c1-2-23(32)29-16-6-7-19(17-29)30-22-14-15-28-25(27)24(22)31(26(30)33)18-10-12-21(13-11-18)34-20-8-4-3-5-9-20/h2-5,8-15,19H,1,6-7,16-17H2,(H2,27,28)/t19-/m1/s1
InChi Key	KOEUOFPEZFUWRF-LJQANCHMSA-N
Canonical SMILES	C=CC(=O)N1CCCC(C1)N2C3=C(C(=NC=C3)N)N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5
Isomeric SMILES	C=CC(=O)N1CCC[C@H](C1)N2C3=C(C(=NC=C3)N)N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5
PubChem CID	124111565
Molecular Weight	455.5

Database links

PubChem CID	124111565
CAS Registry No.	1971920-73-6

Certificates

Certificate of Analysis(COA)

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References

1. Dahl K, Turner T, Vasdev N. (2020) Radiosynthesis of a Bruton's tyrosine kinase inhibitor, [¹¹ C]Tolebrutinib, via palladium-NiXantphos-mediated carbonylation.. J Labelled Comp Radiopharm, 63 (11): (482-487). [PMID:32726870] [10.1021/op500134e]

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