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(E)-2-[(2S)-2-[[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]pyrrolidine-1-carbonyl]-4-methyl-4-[methyl(oxetan-3-yl)amino]pent-2-enenitrile , CAS No.E609495, Inhibitor of BLK proto-oncogene; Src family tyrosine kinase;Inhibitor of BMX non-receptor tyrosine kinase;Inhibitor of Bruton tyrosine kinase;Inhibitor of erb-b2 receptor tyrosine kinase 4;Inhibitor of tec protein tyrosine kinase;Inhibitor of TXK tyrosine

  • Moligand™
Item Number
E609495
Grouped product items
SKUSizeAvailabilityPrice Qty
E609495-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$600.90
E609495-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,000.90

Basic Description

Synonymscompound 9
GradeMoligand™
Action TypeINHIBITOR
Mechanism of actionInhibitor of BLK proto-oncogene; Src family tyrosine kinase;Inhibitor of BMX non-receptor tyrosine kinase;Inhibitor of Bruton tyrosine kinase;Inhibitor of erb-b2 receptor tyrosine kinase 4;Inhibitor of tec protein tyrosine kinase;Inhibitor of TXK tyrosine

Associated Targets

ERBB4 Tclin Receptor tyrosine-protein kinase erbB-4 1 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

TXK Tchem Tyrosine-protein kinase TXK 1 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

TEC Tchem Tyrosine-protein kinase Tec 1 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

BTK Tclin Tyrosine-protein kinase BTK 4 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

BMX Tchem Cytoplasmic tyrosine-protein kinase BMX 1 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

BLK Tchem Tyrosine-protein kinase Blk 1 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

RPS6KA3 Tchem Ribosomal protein S6 kinase alpha-3 1 Activities

Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

Names and Identifiers

IUPAC Name (E)-2-[(2S)-2-[[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]pyrrolidine-1-carbonyl]-4-methyl-4-[methyl(oxetan-3-yl)amino]pent-2-enenitrile
INCHI InChI=1S/C33H35FN8O3/c1-33(2,40(3)23-18-44-19-23)15-21(16-35)32(43)41-13-7-8-22(41)17-42-31-28(30(36)37-20-38-31)29(39-42)26-12-11-25(14-27(26)34)45-24-9-5-4-6-10-24/h4-6,9-12,14-15,20,22-23H,7-8,13,17-19H2,1-3H3,(H2,36,37,38)/b21-15+/t22-/m0/s1
InChi Key YELZMARZEBVKBL-VAZXNAHHSA-N
Canonical SMILES N#C/C(=C\C(N(C1COC1)C)(C)C)/C(=O)N1CCC[C@H]1Cn1nc(c2c1ncnc2N)c1ccc(cc1F)Oc1ccccc1
Isomeric SMILES CC(C)(/C=C(\C#N)/C(=O)N1CCC[C@H]1CN2C3=NC=NC(=C3C(=N2)C4=C(C=C(C=C4)OC5=CC=CC=C5)F)N)N(C)C6COC6
PubChem CID 73389638

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References

1. Di Paolo JA, Huang T, Balazs M, Barbosa J, Barck KH, Bravo BJ, Carano RA, Darrow J, Davies DR, DeForge LE et al..  (2011)  Specific Btk inhibition suppresses B cell- and myeloid cell-mediated arthritis..  Nat Chem Biol,  (1): (41-50).  [PMID:21113169]
2. Xu D, Kim Y, Postelnek J, Vu MD, Hu DQ, Liao C, Bradshaw M, Hsu J, Zhang J, Pashine A et al..  (2012)  RN486, a selective Bruton's tyrosine kinase inhibitor, abrogates immune hypersensitivity responses and arthritis in rodents..  J Pharmacol Exp Ther,  341  (1): (90-103).  [PMID:22228807]
3. Bradshaw JM, McFarland JM, Paavilainen VO, Bisconte A, Tam D, Phan VT, Romanov S, Finkle D, Shu J, Patel V et al..  (2015)  Prolonged and tunable residence time using reversible covalent kinase inhibitors..  Nat Chem Biol,  11  (7): (525-31).  [PMID:26006010]
4. Herter JM, Margraf A, Volmering S, Correia BE, Bradshaw JM, Bisconte A, Hill RJ, Langrish CL, Lowell CA, Zarbock A.  (2018)  PRN473, an inhibitor of Bruton's tyrosine kinase, inhibits neutrophil recruitment via inhibition of macrophage antigen-1 signalling..  Br J Pharmacol,  175  (3): (429-439).  [PMID:29130484]

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