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4-[[5-Chloro-4-(4-hydroxy-4-methyl-cyclohexoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethyl-3-[(1R)-2,2,2-trifluoro-1-methyl-ethoxy]benzamide , CAS No.C608923, Inhibitor of CDC like kinase 2;Inhibitor of dual specificity tyrosine phosphorylation regulated kinase 3;Inhibitor of leucine rich repeat kinase 2;Inhibitor of leukocyte receptor tyrosine kinase;Inhibitor of mitogen-activated protein kinase 10;Inhibitor o

  • Moligand™
Item Number
C608923
Grouped product items
SKUSizeAvailabilityPrice Qty
C608923-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,334.90
C608923-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,000.90

Basic Description

Synonymscompound 20
GradeMoligand™
Action TypeINHIBITOR
Mechanism of actionInhibitor of CDC like kinase 2;Inhibitor of dual specificity tyrosine phosphorylation regulated kinase 3;Inhibitor of leucine rich repeat kinase 2;Inhibitor of leukocyte receptor tyrosine kinase;Inhibitor of mitogen-activated protein kinase 10;Inhibitor o

Associated Targets

DYRK3 Tchem Dual specificity tyrosine-phosphorylation-regulated kinase 3 0 Activities

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

TSSK1B Tchem Testis-specific serine/threonine-protein kinase 1 0 Activities

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

TTK Tchem Dual specificity protein kinase TTK 0 Activities

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

MAPK10 Tchem Mitogen-activated protein kinase 10 0 Activities

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

MAPK8 Tchem Mitogen-activated protein kinase 8 0 Activities

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

LTK Tclin Leukocyte tyrosine kinase receptor 0 Activities

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

LRRK2 Tchem Leucine-rich repeat serine/threonine-protein kinase 2 0 Activities

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

CLK2 Tchem Dual specificity protein kinase CLK2 0 Activities

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

MAPK9 Tchem Mitogen-activated protein kinase 9 0 Activities

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

Names and Identifiers

IUPAC Name 4-[[5-Chloro-4-(4-hydroxy-4-methyl-cyclohexoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethyl-3-[(1R)-2,2,2-trifluoro-1-methyl-ethoxy]benzamide
INCHI InChI=1S/C25H29ClF3N5O4/c1-13(25(27,28)29)37-18-11-14(22(35)34(3)4)5-6-17(18)31-23-32-20-19(16(26)12-30-20)21(33-23)38-15-7-9-24(2,36)10-8-15/h5-6,11-13,15,36H,7-10H2,1-4H3,(H2,30,31,32,33)/t13-,15-,24+/m1/s1
InChi Key IUWWRSQCDUQDEZ-CAQPCFEESA-N
Canonical SMILES CN(C(=O)c1ccc(c(c1)O[C@@H](C(F)(F)F)C)Nc1nc(O[C@@H]2CC[C@](CC2)(C)O)c2c(n1)[nH]cc2Cl)C
Isomeric SMILES C[C@H](C(F)(F)F)OC1=C(C=CC(=C1)C(=O)N(C)C)NC2=NC3=C(C(=CN3)Cl)C(=N2)OC4CCC(CC4)(C)O
PubChem CID 138320062

Certificates

Certificate of Analysis(COA)

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Related Documents

References

1. Riggs JR, Elsner J, Cashion D, Robinson D, Tehrani L, Nagy M, Fultz KE, Krishna Narla R, Peng X, Tran T et al..  (2019)  Design and Optimization Leading to an Orally Active TTK Protein Kinase Inhibitor with Robust Single Agent Efficacy..  J Med Chem,  62  (9): (4401-4410).  [PMID:30998356]

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