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MedKoo Cat#: 201561 | Name: INO-1001

Description:

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

INO-1001 is an isoindolinone derivative and potent inhibitor of the nuclear enzyme poly (ADP-ribose) polymerase (PARP) with chemosensitization and radiosensitization properties. INO-1001 inhibits PARP, which may result in inhibition of tumor cell DNA repair mechanisms and, so, tumor cell resistance to chemotherapy and radiation therapy. PARP enzymes are activated by DNA breaks and have been implicated in the repair of DNA single-strand breaks (SSB). NOTE: as of 7/29/2016, many vendors are selling INO-1001 with wrong structure (3-aminobenzamide, CAS# 3544-24-9)

Chemical Structure

INO-1001
INO-1001
CAS# 501364-82-5 (free base)

Theoretical Analysis

MedKoo Cat#: 201561

Name: INO-1001

CAS#: 501364-82-5 (free base)

Chemical Formula: C23H25N3O4S

Exact Mass: 439.1566

Molecular Weight: 439.53

Elemental Analysis: C, 62.85; H, 5.73; N, 9.56; O, 14.56; S, 7.29

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
IN01001; INO-1001; INO 1001
IUPAC/Chemical Name
N-(3-morpholinopropyl)-5-oxo-6,11-dihydro-5H-indeno[1,2-c]isoquinoline-9-sulfonamide
InChi Key
LTZVLHHIAUKGBP-UHFFFAOYSA-N
InChi Code
InChI=1S/C23H25N3O4S/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/h1-2,4-7,14,24H,3,8-13,15H2,(H,25,27)
SMILES Code
O=C1NC2=C(CC3=C2C=CC(S(NCCCN4CCOCC4)(=O)=O)=C3)C5=CC=CC=C51
Appearance
Solid powder
Purity
>98%
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
Soluble in DMSO, not in water
Shelf Life
>5 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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
Related CAS# CAS#501364-82-5 ( INO-1001 free base) CAS#501364-91-6 (INO-1001 mesylate) CAS#1035563-81-5 (INO-1001 HCl) NOTE: As of 7/29/2016, many vendors are selling INO-1001 with a wrong structure. The correct structure is reported in An Update on Poly(ADP-ribose)polymerase-1 (PARP-1) Inhibitors: Opportunities and Challenges in Cancer Therapy Ying-Qing Wang, Ping-Yuan Wang, Yu-Ting Wang, Guang-Fu Yang, Ao Zhang, and Ze-Hong Miao Publication Date (Web): July 14, 2016 (Perspective) DOI: 10.1021/acs.jmedchem.6b00055  

Preparing Stock Solutions

The following data is based on the product molecular weight 439.53 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.