NMS-P515 - ≥98% , CAS No.1262395-13-0

CAS: 1262395-13-0 Cat. No.: N648438 Formula: C₂₁H₂₉N₃O₂ Peso molecolare: 355.47 PubChem CID: 49843530

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

NMS-P515 is a potent, orally active and stereospecific PARP-1 inhibitor, with a K d of 16 nM and an IC 50 of 27 nM (in Hela cells). Anti-tumor activity

In Vivo

NMS-P515 (80 mg/kg, orally daily for 12 days) exhibits potent antitumor activity in mouse models based pancreatic cancer . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Subcutaneously implanted Capan-1 pancreatic (BRCA2-mutated) mouse xenografts . Dosage: 80 mg/kg. Administration: Orally, once daily for 12 days. Result: Clearly reduced the tumor growth (maximal tumor growth inhibition observed: 48%, maximum body weight loss: 6%).

Form:Solid

IC50& Target:PARP-1 16 nM (Kd) PARP-1 27 nM (IC 50 , in Hela cells)

Specifications

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

NMS-P515 is a potent, orally active and stereospecific PARP-1 inhibitor, with a K d of 16 nM and an IC 50 of 27 nM (in Hela cells). Anti-tumor activity.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: CC1C2=C(C(=CC=C2)C(=O)N)C(=O)N1C3CCN(CC3)C4CCCCC4
• IUPAC Name: (1S)-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxo-1H-isoindole-4-carboxamide
• InChIKey: OYGLTKXMFGWXJT-AWEZNQCLSA-N
• INCHI: 1S/C21H29N3O2/c1-14-17-8-5-9-18(20(22)25)19(17)21(26)24(14)16-10-12-23(13-11-16)15-6-3-2-4-7-15/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H2,22,25)/t14-/m0/s1
• Isomeri SMILES: C[C@H]1C2=C(C(=CC=C2)C(=O)N)C(=O)N1C3CCN(CC3)C4CCCCC4
• PubChem CID: 49843530
• Peso molecolare: 355.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Isoindoles and derivatives
      • Subclass Isoindolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoindolones
• Alternative Parents: Isoindoles Cyclohexylamines Piperidines Benzenoids Tertiary carboxylic acid amides Trialkylamines Primary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoindolone - Isoindole - Cyclohexylamine - Piperidine - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Primary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

PARP1 Tclin Poly [ADP-ribose] polymerase 1 (3 Activities)

Discover Target: PARP1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)

Discover Target: PARP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)

Discover Target: CYP2B6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CAPAN-1 (772 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PARP2 Tclin Poly [ADP-ribose] polymerase 2 (1185 Activities)

Discover Target: PARP2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PARP3 Tclin Poly [ADP-ribose] polymerase 3 (206 Activities)

Discover Target: PARP3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1262395-13-0, the molecular formula is C21H29N3O2, and the molecular weight is 355.47 g/mol. InChIKey OYGLTKXMFGWXJT-AWEZNQCLSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.