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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

CD69 Tchem Early activation antigen CD69 (107 Activities)

Discover Target: CD69

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

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]

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