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rilzabrutinib , Tyrosine-protein kinase BTK inhibitor, CAS No.1575596-29-0, Tyrosine-protein kinase BTK inhibitor

CAS#: 1575596-29-0
EC Number: 866-250-5
PubChem CID: 73388818

Item Number

R613193

Grouped product items
SKU	Size	Availability	Price	Qty
R613193-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$249.90
R613193-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$870.90

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Bruton tyrosine kinase Inhibitor

Basic Description

Synonyms	BDBM143212 \| PRN 1008 \| UNII-5G1WE425BI \| Q50825085 \| UNII-NWN58M4F5T \| WHO 10966 \| HY-112166 \| Z17862399 \| 2416219-30-0 \| Rilzabrutinib, (E)- \| 2-[(3R)-3-[3-(2-fluoro-4-phenoxyphenyl)-4-imino-1H,2H,4H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Tyrosine-protein kinase BTK inhibitor

Associated Targets(Human)

BTK Tclin Tyrosine-protein kinase BTK (3 Activities)

Discover Target: BTK

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

BLK Tchem Tyrosine-protein kinase BLK (2498 Activities)

Discover Target: BLK

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

BMX Tchem Tyrosine-protein kinase BMX (1995 Activities)

Discover Target: BMX

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

TXK Tchem Tyrosine-protein kinase TXK (1590 Activities)

Discover Target: TXK

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

Names and Identifiers

IUPAC Name	(E)-2-[(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile
INCHI	InChI=1S/C36H40FN9O3/c1-36(2,45-15-13-43(14-16-45)26-21-48-22-26)18-24(19-38)35(47)44-12-6-7-25(20-44)46-34-31(33(39)40-23-41-34)32(42-46)29-11-10-28(17-30(29)37)49-27-8-4-3-5-9-27/h3-5,8-11,17-18,23,25-26H,6-7,12-16,20-22H2,1-2H3,(H2,39,40,41)/b24-18+/t25-/m1/s1
InChi Key	LCFFREMLXLZNHE-GBOLQPHISA-N
Canonical SMILES	CC(C)(C=C(C#N)C(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=C(C=C(C=C4)OC5=CC=CC=C5)F)N)N6CCN(CC6)C7COC7
Isomeric SMILES	CC(C)(/C=C(\C#N)/C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=C(C=C(C=C4)OC5=CC=CC=C5)F)N)N6CCN(CC6)C7COC7
Alternate CAS	1575596-29-0,1575591-66-0
PubChem CID	73388818

PubChem CID

ChEMBL Ligand

CAS Registry No.

BindingDB Ligand

RCSB PDB Ligand

R1L, R1L

References

1. Smith PF, Krishnarajah J, Nunn PA, Hill RJ, Karr D, Tam D, Masjedizadeh M, Funk JO, Gourlay SG. (2017) A phase I trial of PRN1008, a novel reversible covalent inhibitor of Bruton's tyrosine kinase, in healthy volunteers.. Br J Clin Pharmacol, 83 (11): (2367-2376). [PMID:28636208] [10.1021/op500134e]

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rilzabrutinib , Tyrosine-protein kinase BTK inhibitor, CAS No.1575596-29-0, Tyrosine-protein kinase BTK inhibitor

Basic Description

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

Database links

Certificates

Certificate of Analysis(COA)

Related Documents

References

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