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1262417-51-5

NMS-P118, also known as 2-[1-(4,4-Difluorocyclohexyl)-4-piperidinyl]-6-fluoro-2,3-dihydro-3-oxo-1H-isoindole-4-carboxamide, is a potent inhibitor of the nuclear protein poly(ADP-ribose) polymerase-1 (PARP-1). This protein plays a crucial role in the signaling and repair of DNA, making it a significant target in the field of oncology. NMS-P118 has demonstrated the ability to inhibit PARP-1, which can lead to the disruption of DNA repair mechanisms in cancer cells, ultimately resulting in cell death.

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  • 1262417-51-5 Structure

  • Basic information

    1. Product Name: NMS-P118
    2. Synonyms: NMS-P118;2-[1-(4,4-Difluorocyclohexyl)-4-piperidinyl]-6-fluoro-2,3-dihydro-3-oxo-1H-isoindole-4-carboxamide;2-(1-(4,4-difluorocyclohexyl)piperidin-4-yl)-6-fluoro-3-oxoisoindoline-4-carboxamide
    3. CAS NO:1262417-51-5
    4. Molecular Formula: C20H24F3N3O2
    5. Molecular Weight: 395.4186696
    6. EINECS: -0
    7. Product Categories: N/A
    8. Mol File: 1262417-51-5.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: NMS-P118(CAS DataBase Reference)
    10. NIST Chemistry Reference: NMS-P118(1262417-51-5)
    11. EPA Substance Registry System: NMS-P118(1262417-51-5)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1262417-51-5(Hazardous Substances Data)

1262417-51-5 Usage

Uses

Used in Oncology:
NMS-P118 is used as a PARP-1 inhibitor for targeting cancer cells with impaired DNA repair mechanisms. By inhibiting PARP-1, NMS-P118 can lead to the accumulation of DNA damage in cancer cells, which can result in cell death. This makes it a promising therapeutic agent for the treatment of various types of cancer, particularly those with known defects in DNA repair pathways.
Used in Drug Development:
In the pharmaceutical industry, NMS-P118 is used as a lead compound for the development of novel anticancer drugs. Its potent PARP-1 inhibitory activity and selectivity make it an attractive candidate for further optimization and development into more effective and targeted cancer therapies.
Used in Research:
NMS-P118 is also utilized as a research tool in the field of molecular biology and cancer research. It can be employed to study the role of PARP-1 in DNA repair and its potential as a therapeutic target in various types of cancer. Additionally, it can be used to investigate the mechanisms of action and potential synergistic effects when combined with other cancer treatments.

Check Digit Verification of cas no

The CAS Registry Mumber 1262417-51-5 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,6,2,4,1 and 7 respectively; the second part has 2 digits, 5 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1262417-51:
(9*1)+(8*2)+(7*6)+(6*2)+(5*4)+(4*1)+(3*7)+(2*5)+(1*1)=135
135 % 10 = 5
So 1262417-51-5 is a valid CAS Registry Number.

1262417-51-5Downstream Products

1262417-51-5Relevant articles and documents

Discovery of 2-[1-(4,4-Difluorocyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide (NMS-P118): A Potent, Orally Available, and Highly Selective PARP-1 Inhibitor for Cancer Therapy

Papeo, Gianluca,Posteri, Helena,Borghi, Daniela,Busel, Alina A.,Caprera, Francesco,Casale, Elena,Ciomei, Marina,Cirla, Alessandra,Corti, Emiliana,D'Anello, Matteo,Fasolini, Marina,Forte, Barbara,Galvani, Arturo,Isacchi, Antonella,Khvat, Alexander,Krasavin, Mikhail Y.,Lupi, Rosita,Orsini, Paolo,Perego, Rita,Pesenti, Enrico,Pezzetta, Daniele,Rainoldi, Sonia,Riccardi-Sirtori, Federico,Scolaro, Alessandra,Sola, Francesco,Zuccotto, Fabio,Felder, Eduard R.,Donati, Daniele,Montagnoli, Alessia

, p. 6875 - 6898 (2015/09/22)

The nuclear protein poly(ADP-ribose) polymerase-1 (PARP-1) has a well-established role in the signaling and repair of DNA and is a prominent target in oncology, as testified by the number of candidates in clinical testing that unselectively target both PARP-1 and its closest isoform PARP-2. The goal of our program was to find a PARP-1 selective inhibitor that would potentially mitigate toxicities arising from cross-inhibition of PARP-2. Thus, an HTS campaign on the proprietary Nerviano Medical Sciences (NMS) chemical collection, followed by SAR optimization, allowed us to discover 2-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide (NMS-P118, 20by). NMS-P118 proved to be a potent, orally available, and highly selective PARP-1 inhibitor endowed with excellent ADME and pharmacokinetic profiles and high efficacy in vivo both as a single agent and in combination with Temozolomide in MDA-MB-436 and Capan-1 xenograft models, respectively. Cocrystal structures of 20by with both PARP-1 and PARP-2 catalytic domain proteins allowed rationalization of the observed selectivity.

3-OXO-2, 3-DIHYDRO-LH-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS

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Page/Page column 51, (2011/02/24)

There are provided subs ti tuted 3-ox -2, 3 -dihydro-]H-isoindole-4-carboxamide derivatives (I) which selectively inhibit the activity of poly (ADP-ribose) polymerase PARP- 1 with respect to poly (ADP-ribose) polymerase PARP-2. The compounds of this inven

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