RBN-2397 - ≥99% , CAS No.2381037-82-5

Name: RBN-2397 - ≥99% , CAS No.2381037-82-5
Brand: Aladdin Scientific
SKU: R414312
Availability: InStock

CAS: 2381037-82-5 Cat. No.: R414312 Summenformel: C₂₀H₂₃F₆N₇O₃ Molekulargewicht: 523.43 PubChem CID: 146047148

COA

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QUALITÄT & REINHEIT ≥99%

Synonyms

5-(((2S)-1-(3-Oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2- yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4- (trifluoromethyl)pyridazin-3(2H)-one | Atamparib [WHO-DD] | D97647 | 3(2H)-Pyridazinone, 5-(((1S)-1-methyl-2-(3-oxo-3-(4-(5-(trifluoromethyl)-2-pyrimid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht Spezifikationen Produkteigenschaften Namen und Kennungen Dokumentation Erweiterte Daten Taxonomic Classification 3D-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Lösungsrechner Bewertungen Häufig gestellte Fragen

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Warum diese Qualität

≥99% für empfindliche chromatographische und analytische Workflows, die minimale Basislinieninterferenzen erfordern.

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Lagerung & Versand

Store at -20°C Versand Ice chest + Ice pads. Genaue Spezifikationen finden Sie im chargenspezifischen COA.

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Qualitätsdokumente

SDS, COA, Datenblatt und Spezifikationsblatt stehen zum Download bereit. Chargenspezifische COA über Chargennummernsuche abrufbar.

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Literaturbeleg

In 0 peer-reviewten Publikationen zu Chromatographie, organischer Synthese und Kreuzkupplungsreaktionen zitiert.

Übersicht

Information

RBN-2397 RBN-2397 is a potent, selective and orally active NAD+ competitive inhibitor PARP7 with IC50 of <3 nM and Kd of <0.001 μM. RBN-2397 has the potential for the research of tumor treatment.

Targets

PARP7 (Cell-free assay); PARP7 (Cell-free assay) <0.001 μM(Kd); <3 nM

In vitro

RBN-2397 restores cytosolic nucleic acid sensing and blocks cell proliferation in a human lung cancer cell line.

In vivo

RBN-2397 causes complete regressions in human NSCLC NCI-H1373 xenografts and dose-dependent pharmacodynamic effects. RBN-2397 induces tumor-specific adaptive immune memory in CT26 syngeneic model with durable complete responses.

Cell Research(from reference)

Cell lines：NCI-H1373 human lung cancer cells

Concentrations：0.4 nM to 1000 nM

Incubation Time：24 h

Spezifikationen

Synonyme

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

RBN-2397 is a potent, selective and orally active NAD+ competitive inhibitor PARP7 with IC50 of <3 nM and Kd of <0.001 μM. RBN-2397 has the potential for the research of tumor treatment.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%

Produkteigenschaften

ALogP

0.907

HBD-Zahl

Rotationsfähige Bindung

Namen und Kennungen

Pubchem Sid

504773616

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773616

Kanonisches Lächeln

CC(COCCC(=O)N1CCN(CC1)C2=NC=C(C=N2)C(F)(F)F)NC3=C(C(=O)NN=C3)C(F)(F)F

IUPAC Name

4-[[(2S)-1-[3-oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one

InChIKey

UQZCQKXJAXKZQH-LBPRGKRZSA-N

INCHI

1S/C20H23F6N7O3/c1-12(30-14-10-29-31-17(35)16(14)20(24,25)26)11-36-7-2-15(34)32-3-5-33(6-4-32)18-27-8-13(9-28-18)19(21,22)23/h8-10,12H,2-7,11H2,1H3,(H2,30,31,35)/t12-/m0/s1

Isomere SMILES

C[C@@H](COCCC(=O)N1CCN(CC1)C2=NC=C(C=N2)C(F)(F)F)NC3=C(C(=O)NN=C3)C(F)(F)F

PubChem CID

146047148

Molekulargewicht

523.43

Dokumentation

📋 Sicherheitsdatenblatt (SDS)

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✅ Analysezertifikat (COA)

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Kurzübersicht über Produktspezifikationen und Anwendungen.

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Erweiterte Daten

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Klasse Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Klasse	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	N-arylpiperazines
Alternative Parents	Dialkylarylamines Secondary alkylarylamines Pyridazinones Aminopyrimidines and derivatives Aminopyridazines Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Amino acids and derivatives Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-arylpiperazine - Dialkylarylamine - Secondary aliphatic/aromatic amine - Pyridazinone - Aminopyrimidine - Aminopyridazine - Pyrimidine - Pyridazine - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
External Descriptors	Not available
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

3D-Struktur

Zugehörige Ziele (menschlich)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

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

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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

CSNK1D Tchem Casein kinase I delta (4546 Activities)

Discover Target: CSNK1D

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

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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

AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

Discover Target: AURKA

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

TNKS Tchem Tankyrase-1 (1241 Activities)

Discover Target: TNKS

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

PARP4 Tchem Poly [ADP-ribose] polymerase 4 (71 Activities)

Discover Target: PARP4

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

TNKS2 Tchem Tankyrase-2 (1531 Activities)

Discover Target: TNKS2

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

BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

Discover Target: BRD4

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

PARP14 Tchem Poly [ADP-ribose] polymerase 14 (380 Activities)

Discover Target: PARP14

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

PARP6 Tchem Poly [ADP-ribose] polymerase 6 (23 Activities)

Discover Target: PARP6

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

TIPARP Tbio TCDD-inducible poly [ADP-ribose] polymerase (41 Activities)

Discover Target: TIPARP

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

PARP11 Tbio Poly [ADP-ribose] polymerase 11 (83 Activities)

Discover Target: PARP11

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

PARP10 Tchem Poly [ADP-ribose] polymerase 10 (418 Activities)

Discover Target: PARP10

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

PARP12 Tchem Poly [ADP-ribose] polymerase 12 (63 Activities)

Discover Target: PARP12

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

PARP8 Tbio Poly [ADP-ribose] polymerase 8 (85 Activities)

Discover Target: PARP8

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

TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

Discover Target: TRIM24

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

BRPF1 Tchem Peregrin (2217 Activities)

Discover Target: BRPF1

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

HEK-293T (167025 Activities)

Explore this target

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

PARP16 Tchem Mono [ADP-ribose] polymerase PARP16 (46 Activities)

Discover Target: PARP16

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

PARP9 Tbio Protein mono-ADP-ribosyltransferase PARP9 (12 Activities)

Discover Target: PARP9

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

Zugehörige Ziele (nicht menschlich)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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

Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

Discover Target: Fgfr3

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

Wirkungsmechanismen

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Datum	Artikel
G2228094	Certificate of Analysis	May 09, 2025	R414312
G2228095	Certificate of Analysis	May 09, 2025	R414312
G2228096	Certificate of Analysis	May 09, 2025	R414312
G2228097	Certificate of Analysis	May 09, 2025	R414312

Chemische und physikalische Eigenschaften

Löslichkeit	Solubility (25°C) In vitro DMSO: 100 mg/mL (191.04 mM); Ethanol: 7 mg/mL (13.37 mM); Water: Insoluble;
DMSO (mg/ml) Maximale Löslichkeit	100
DMSO (mM) Maximale Löslichkeit	191.047513516612
Wasser (mg/ml) Maximale Löslichkeit	＜1
Molekulargewicht	523.400 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	8
Exact Mass	523.177 Da
Monoisotopic Mass	523.177 Da
Topological Polar Surface Area	112.000 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	848.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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What is the purity of this product?

This product is supplied at ≥99% 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 2381037-82-5, the molecular formula is C20H23F6N7O3, and the molecular weight is 523.43 g/mol. InChIKey UQZCQKXJAXKZQH-LBPRGKRZSA-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.

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