INO-1001

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

MedKoo CAT#: 201561

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

Description: 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

CAS# 501364-82-5 (free base)

Instruction

Theoretical Analysis

MedKoo Cat#: 201561
Name: INO-1001
CAS#: 501364-82-5 (free base)
Chemical Formula: C23H25N3O4S
Exact Mass: 439.16
Molecular Weight: 439.530
Elemental Analysis: C, 62.85; H, 5.73; N, 9.56; O, 14.56; S, 7.29

Price and Availability

Size	Price	Availability	Quantity
10mg	USD -2
25mg	USD -2
50mg	USD -2
100mg	USD -2
200mg	USD -2
500mg	USD -2
1g	USD -1
2g	USD -1
5g	USD -1
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

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

Instruction:

View handling instruction

Biological target:
In vitro activity:
In vivo activity:

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.

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

Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Roesner JP, Mersmann J, Bergt S, Bohnenberg K, Barthuber C, Szabo C, NÃ¶ldge-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, SzabÃ³ 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, SzabÃ³ C, Karck M, SzabÃ³ 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, GrÃ¶ger M, Ehrmann U, Albicini M, BrÃ¼ckner UB, Schelzig H, Venkatesh B, Li H, SzabÃ³ 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: TÃ³th O, SzabÃ³ C, KecskÃ©s M, PÃ³tÃ³ 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, ZsengellÃ©r Z, Plotkine M, SzabÃ³ 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: SzabÃ³ G, SoÃ³s P, Mandera S, Heger U, Flechtenmacher C, BÃ¤hrle S, Seres L, CzirÃ¡ki A, Gries A, ZsengellÃ©r Z, Vahl CF, Hagl S, SzabÃ³ 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, SzabÃ³ 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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