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N-[(4-tert-butylphenyl)methyl]-1,5-dimethyl-4,4-dioxopyrazolo[4,3-c][2,1]benzothiazin-8-amine , CAS No.N609100, Inhibitor of protein tyrosine kinase 2

Moligand™

PubChem CID: 70698427

Item Number

N609100

Grouped product items
SKU	Size	Availability	Price	Qty
N609100-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
N609100-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

View related series

protein tyrosine kinase 2 Inhibitor

Synonyms

compound 30

Specifications & Purity

Moligand™

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of protein tyrosine kinase 2

Associated Targets

ERBB2 Tclin Receptor tyrosine-protein kinase erbB-2 0 Activities

Discover Target: ERBB2

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

PTK2 Tclin Focal adhesion kinase 1 1 Activities

Discover Target: PTK2

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

SRC Tclin Proto-oncogene tyrosine-protein kinase Src 0 Activities

Discover Target: SRC

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

PTK2B Tclin Protein-tyrosine kinase 2-beta 0 Activities

Discover Target: PTK2B

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

AURKB Tchem Aurora kinase B 0 Activities

Discover Target: AURKB

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

AKT1 Tchem RAC-alpha serine/threonine-protein kinase 0 Activities

Discover Target: AKT1

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

MAPK14 Tchem Mitogen-activated protein kinase 14 0 Activities

Discover Target: MAPK14

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

MAP2K1 Tclin Dual specificity mitogen-activated protein kinase kinase 1 0 Activities

Discover Target: MAP2K1

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

Names and Identifiers

IUPAC Name	N-[(4-tert-butylphenyl)methyl]-1,5-dimethyl-4,4-dioxopyrazolo[4,3-c][2,1]benzothiazin-8-amine
INCHI	InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-6-15(7-9-16)13-23-17-10-11-19-18(12-17)21-20(14-24-25(21)4)29(27,28)26(19)5/h6-12,14,23H,13H2,1-5H3
InChi Key	AVFJKWOKOZKXRX-UHFFFAOYSA-N
Canonical SMILES	Cn1ncc2c1c1cc(NCc3ccc(cc3)C(C)(C)C)ccc1N(S2(=O)=O)C
Isomeric SMILES	CC(C)(C)C1=CC=C(C=C1)CNC2=CC3=C(C=C2)N(S(=O)(=O)C4=C3N(N=C4)C)C
PubChem CID	70698427

PubChem CID

70698427

ChEMBL Ligand

CHEMBL2333444

RCSB PDB Ligand

1BR

References

1. Halder J, Kamat AA, Landen Jr CN, Han LY, Lutgendorf SK, Lin YG, Merritt WM, Jennings NB, Chavez-Reyes A, Coleman RL et al.. (2006) Focal adhesion kinase targeting using in vivo short interfering RNA delivery in neutral liposomes for ovarian carcinoma therapy.. Clin Cancer Res, 12 (16): (4916-24). [PMID:16914580]
2. McLean GW, Carragher NO, Avizienyte E, Evans J, Brunton VG, Frame MC. (2005) The role of focal-adhesion kinase in cancer - a new therapeutic opportunity.. Nat Rev Cancer, 5 (7): (505-15). [PMID:16069815]
3. Schwock J, Dhani N, Cao MP, Zheng J, Clarkson R, Radulovich N, Navab R, Horn LC, Hedley DW. (2009) Targeting focal adhesion kinase with dominant-negative FRNK or Hsp90 inhibitor 17-DMAG suppresses tumor growth and metastasis of SiHa cervical xenografts.. Cancer Res, 69 (11): (4750-9). [PMID:19458065]
4. Tsutsumi K, Yamaura T, Nakajima M, Honda T, Kasaoka T. (2009) Silencing of focal adhesion kinase by tumor direct injection of small interfering RNA decreases in vivo tumor growth.. Cancer Biol Ther, 8 (13): (1292-9). [PMID:19458494]
5. Schwock J, Dhani N, Hedley DW. (2010) Targeting focal adhesion kinase signaling in tumor growth and metastasis.. Expert Opin Ther Targets, 14 (1): (77-94). [PMID:20001212]
6. Tomita N, Hayashi Y, Suzuki S, Oomori Y, Aramaki Y, Matsushita Y, Iwatani M, Iwata H, Okabe A, Awazu Y et al.. (2013) Structure-based discovery of cellular-active allosteric inhibitors of FAK.. Bioorg Med Chem Lett, 23 (6): (1779-85). [PMID:23414845]
7. Ilić D, Furuta Y, Kanazawa S, Takeda N, Sobue K, Nakatsuji N, Nomura S, Fujimoto J, Okada M, Yamamoto T. (1995) Reduced cell motility and enhanced focal adhesion contact formation in cells from FAK-deficient mice.. Nature, 377 (6549): (539-44). [PMID:7566154]
8. Schlaepfer DD, Hanks SK, Hunter T, van der Geer P. (1994) Integrin-mediated signal transduction linked to Ras pathway by GRB2 binding to focal adhesion kinase.. Nature, 372 (6508): (786-91). [PMID:7997267]

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