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MedKoo Cat#: 576696 | Name: INO-1001 methanesulfonate

Description:

WARNING: This product is for research use only, not for human or veterinary use.

INO-1001 methanesulfonate is an isoindolinone derivative and potent inhibitor of the nuclear enzyme poly (ADP-ribose) polymerase (PARP) with chemosensitization and radiosensitization properties.

Chemical Structure

INO-1001 methanesulfonate
INO-1001 methanesulfonate
CAS#501364-91-6

Theoretical Analysis

MedKoo Cat#: 576696

Name: INO-1001 methanesulfonate

CAS#: 501364-91-6

Chemical Formula: C24H29N3O7S2

Exact Mass: 535.1447

Molecular Weight: 535.63

Elemental Analysis: C, 53.82; H, 5.46; N, 7.85; O, 20.91; S, 11.97

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
INO-1001 methanesulfonate; INO 1001 methanesulfonate; INO1001 methanesulfonate
IUPAC/Chemical Name
5H-Indeno(1,2-C)isoquinoline-9-sulfonamide, 6,11-dihydro-N-(3-(4-morpholinyl)propyl)-5-oxo-, methanesulfonate (1:1)
InChi Key
ICMWGKNAXGUKQN-UHFFFAOYSA-N
InChi Code
InChI=1S/C23H25N3O4S.CH4O3S/c27-23-20-5-2-1-4-19(20)21-15-16-14-17(6-7-18(16)22(21)25-23)31(28,29)24-8-3-9-26-10-12-30-13-11-26;1-5(2,3)4/h1-2,4-7,14,24H,3,8-13,15H2,(H,25,27);1H3,(H,2,3,4)
SMILES Code
CS(=O)(=O)O.O=C1NC2=C(Cc3cc(ccc23)S(=O)(=O)NCCCN4CCOCC4)c5ccccc15
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 535.63 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Roesner JP, Mersmann J, Bergt S, Bohnenberg K, Barthuber C, Szabo C, Nöldge-Schomburg GE, Zacharowski K. Therapeutic injection of PARP inhibitor INO-1001 preserves cardiac function in porcine myocardial ischemia and reperfusion without reducing infarct size. Shock. 2010 May;33(5):507-12. PubMed PMID: 20395771. 2: Bedikian AY, Papadopoulos NE, Kim KB, Hwu WJ, Homsi J, Glass MR, Cain S, Rudewicz P, Vernillet L, Hwu P. A phase IB trial of intravenous INO-1001 plus oral temozolomide in subjects with unresectable stage-III or IV melanoma. Cancer Invest. 2009 Aug;27(7):756-63. PubMed PMID: 19440934. 3: Morrow DA, Brickman CM, Murphy SA, Baran K, Krakover R, Dauerman H, Kumar S, Slomowitz N, Grip L, McCabe CH, Salzman AL. A randomized, placebo-controlled trial to evaluate the tolerability, safety, pharmacokinetics, and pharmacodynamics of a potent inhibitor of poly(ADP-ribose) polymerase (INO-1001) in patients with ST-elevation myocardial infarction undergoing primary percutaneous coronary intervention: results of the TIMI 37 trial. J Thromb Thrombolysis. 2009 May;27(4):359-64. Epub 2008 Jun 6. PubMed PMID: 18535785. 4: Clark RS, Vagni VA, Nathaniel PD, Jenkins LW, Dixon CE, Szabó C. Local administration of the poly(ADP-ribose) polymerase inhibitor INO-1001 prevents NAD+ depletion and improves water maze performance after traumatic brain injury in mice. J Neurotrauma. 2007 Aug;24(8):1399-405. PubMed PMID: 17711401. 5: Mason KA, Valdecanas D, Hunter NR, Milas L. INO-1001, a novel inhibitor of poly(ADP-ribose) polymerase, enhances tumor response to doxorubicin. Invest New Drugs. 2008 Feb;26(1):1-5. Epub 2007 Jul 13. PubMed PMID: 17628743. 6: Radovits T, Seres L, Gero D, Berger I, Szabó C, Karck M, Szabó G. Single dose treatment with PARP-inhibitor INO-1001 improves aging-associated cardiac and vascular dysfunction. Exp Gerontol. 2007 Jul;42(7):676-85. Epub 2007 Feb 20. PubMed PMID: 17383839; PubMed Central PMCID: PMC2684519. 7: Hauser B, Gröger M, Ehrmann U, Albicini M, Brückner UB, Schelzig H, Venkatesh B, Li H, Szabó C, Speit G, Radermacher P, Kick J. The parp-1 inhibitor ino-1001 facilitates hemodynamic stabilization without affecting DNA repair in porcine thoracic aortic cross-clamping-induced ischemia/reperfusion. Shock. 2006 Jun;25(6):633-40. PubMed PMID: 16721272. 8: Tóth O, Szabó C, Kecskés M, Pótó L, Nagy A, Losonczy H. In vitro effect of the potent poly(ADP-ribose) polymerase (PARP) inhibitor INO-1001 alone and in combination with aspirin, eptifibatide, tirofiban, enoxaparin or alteplase on haemostatic parameters. Life Sci. 2006 Jun 20;79(4):317-23. Epub 2006 Feb 9. PubMed PMID: 16480745. 9: Besson VC, Zsengellér Z, Plotkine M, Szabó C, Marchand-Verrecchia C. Beneficial effects of PJ34 and INO-1001, two novel water-soluble poly(ADP-ribose) polymerase inhibitors, on the consequences of traumatic brain injury in rat. Brain Res. 2005 Apr 18;1041(2):149-56. PubMed PMID: 15829224. 10: Szabó G, Soós P, Mandera S, Heger U, Flechtenmacher C, Bährle S, Seres L, Cziráki A, Gries A, Zsengellér Z, Vahl CF, Hagl S, Szabó C. INO-1001 a novel poly(ADP-ribose) polymerase (PARP) inhibitor improves cardiac and pulmonary function after crystalloid cardioplegia and extracorporal circulation. Shock. 2004 May;21(5):426-32. PubMed PMID: 15087818. 11: Brock WA, Milas L, Bergh S, Lo R, Szabó C, Mason KA. Radiosensitization of human and rodent cell lines by INO-1001, a novel inhibitor of poly(ADP-ribose) polymerase. Cancer Lett. 2004 Mar 18;205(2):155-60. PubMed PMID: 15036647.

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