336113-53-2 | Ispinesib

Packsize	Purity	Availability	Price	Discounted Price
1mg	98%	in stock	$19.00	$14.00
50mg	≥98%	in stock	$847.00	$593.00
500mg	98% by HPLC	in stock	$6,653.00	$4,657.00
1000mg	98% by HPLC	in stock	$10,613.00	$7,429.00

Description

• Catalog Number: AF68023
• Chemical Name: Ispinesib
• CAS Number: 336113-53-2
• Molecular Formula: C30H33ClN4O2
• Molecular Weight: 517.0616
• MDL Number: MFCD22628831
• SMILES: NCCCN([C@@H](c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)C(C)C)C(=O)c1ccc(cc1)C

Computed Properties

• Complexity: 803
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 1
• Heavy Atom Count: 37
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 9
• XLogP3: 5.3

Literature

• Identification of potent Yes1 kinase inhibitors using a library screening approach.

  Bioorganic & medicinal chemistry letters 20130801

• The structure of the ternary Eg5-ADP-ispinesib complex.

  Acta crystallographica. Section D, Biological crystallography 20121001

• Triphenylbutanamines: kinesin spindle protein inhibitors with in vivo antitumor activity.

  Journal of medicinal chemistry 20120223

• Protein-based identification of quantitative trait loci associated with malignant transformation in two HER2+ cellular models of breast cancer.

  Proteome science 20120101

• Mitosis phase enrichment with identification of mitotic centromere-associated kinesin as a therapeutic target in castration-resistant prostate cancer.

  PloS one 20120101

• Discovery of (+)-N-(3-aminopropyl)-N-[1-(5-benzyl-3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-6-yl)-2-methylpropyl]-4-methylbenzamide (AZD4877), a kinesin spindle protein inhibitor and potential anticancer agent.

  Journal of medicinal chemistry 20111013

• A phase I study of ispinesib, a kinesin spindle protein inhibitor, administered weekly for three consecutive weeks of a 28-day cycle in patients with solid tumors.

  Investigational new drugs 20110601

• The association between EGFR variant III, HPV, p16, c-MET, EGFR gene copy number and response to EGFR inhibitors in patients with recurrent or metastatic squamous cell carcinoma of the head and neck.

  Head & neck oncology 20110101

• Evaluation of activity and combination strategies with the microtubule-targeting drug sagopilone in breast cancer cell lines.

  Frontiers in oncology 20110101

• A pediatric phase I trial and pharmacokinetic study of ispinesib: a Children's Oncology Group phase I consortium study.

  Pediatric blood & cancer 20101215

• Novel benzimidazole inhibitors bind to a unique site in the kinesin spindle protein motor domain.

  Biochemistry 20100928

• Functional characterisation and drug target validation of a mitotic kinesin-13 in Trypanosoma brucei.

  PLoS pathogens 20100801

• Activity of the kinesin spindle protein inhibitor ispinesib (SB-715992) in models of breast cancer.

  Clinical cancer research : an official journal of the American Association for Cancer Research 20100115

• Initial testing (stage 1) of the kinesin spindle protein inhibitor ispinesib by the pediatric preclinical testing program.

  Pediatric blood & cancer 20091215

• Thermodynamics of nucleotide and inhibitor binding to wild-type and ispinesib-resistant forms of human kinesin spindle protein.

  Biochemistry 20091124

• A Bayesian population PK-PD model for ispinesib/docetaxel combination-induced myelosuppression.

  Cancer chemotherapy and pharmacology 20090201

• KIF11 inhibition for glioblastoma treatment: reason to hope or a struggle with the brain?

  BMC cancer 20090101

• Southwest Oncology Group phase II study of ispinesib in androgen-independent prostate cancer previously treated with taxanes.

  Clinical genitourinary cancer 20080901

• Progress on kinesin spindle protein inhibitors as anti-cancer agents.

  Anti-cancer agents in medicinal chemistry 20080801

• Conformation-dependent ligand regulation of ATP hydrolysis by human KSP: activation of basal hydrolysis and inhibition of microtubule-stimulated hydrolysis by a single, small molecule modulator.

  Journal of the American Chemical Society 20080618

• A phase II study of ispinesib (SB-715992) in patients with metastatic or recurrent malignant melanoma: a National Cancer Institute of Canada Clinical Trials Group trial.

  Investigational new drugs 20080601

• Phase II study of ispinesib in recurrent or metastatic squamous cell carcinoma of the head and neck.

  Investigational new drugs 20080601

• A phase II and pharmacokinetic study of SB-715992, in patients with metastatic hepatocellular carcinoma: a study of the National Cancer Institute of Canada Clinical Trials Group (NCIC CTG IND.168).

  Investigational new drugs 20080601

• Mechanism of inhibition of human KSP by ispinesib.

  Biochemistry 20080318

• A phase I trial of ispinesib, a kinesin spindle protein inhibitor, with docetaxel in patients with advanced solid tumours.

  British journal of cancer 20080311

• A University of Chicago consortium phase II trial of SB-715992 in advanced renal cell cancer.

  Clinical genitourinary cancer 20080301

• Promising novel cytotoxic agents and combinations in metastatic prostate cancer.

  Cancer journal (Sudbury, Mass.) 20080101

• ATP-competitive inhibitors of the mitotic kinesin KSP that function via an allosteric mechanism.

  Nature chemical biology 20071101

• Synthesis and SAR of thiophene containing kinesin spindle protein (KSP) inhibitors.

  Bioorganic & medicinal chemistry letters 20070701

• American Chemical Society--233rd National Meeting. Kinesin spindle protein inhibitors. 25-29 March 2007, Chicago, IL, USA.

  IDrugs : the investigational drugs journal 20070501

• A Bayesian population PK-PD model of ispinesib-induced myelosuppression.

  Clinical pharmacology and therapeutics 20070101

• Increased therapeutic potential of an experimental anti-mitotic inhibitor SB715992 by genistein in PC-3 human prostate cancer cell line.

  BMC cancer 20060101

• Highlights from the International Conference on Molecular Targets and Cancer Therapeutics: Discovery, Biology, And Clinical Applications, Philadelphia, PA, November 2005; ECCO 13--The European Cancer Conference, Paris, France, October 30-November 3, 2005.

  Clinical genitourinary cancer 20051201