OBI-3424 - ≥99% , DNA cross-linking agent, CAS No.2097713-68-1, DNA cross-linking agent

CAS: 2097713-68-1 Cat. No.: O650664 分子式: C₂₁H₂₅N₄O₆P 分子量: 460.42 PubChem CID: 126961329

グレード＆純度 ≥99%

Synonyms

Obi 3424|Phosphinic acid, P,P-bis(1-aziridinyl)-, (1R)-1-(3-(3-((dimethylamino)carbonyl)phenoxy)-4-nitrophenyl)ethyl ester|TH-3424|3-(5-((1R)-1-(Bis(aziridin-1-yl(phosphoryloxy)ethyl)-2-nitrophenoxy)-N,N-dimethylbenzamide|OBI3424|OBI-3424|3-[5-[(1R)-1-[bis(aziridin-1-yl)phosphoryloxy]ethyl]-2-nitrophenoxy]-N,N-dimethylbenzamide|OBI 3424 [WHO-DD]

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

概要

OBI-3424 (TH-3424) is a proagent that is selectively converted by AKR1C3 (aldo-keto reductase 1C3) to a potent DNA-alkylating agent. OBI-3424 can be used for hepatocellular carcinoma, castrate-resistant prostate cancer , and acute lymphoblastic leukemia (ALL) research.

In Vitro

OBI-3424 exerts potent cytotoxicity against the H460 lung cancer cell line (IC 50 of 4.0 nM). OBI-3424 exhibits potent cytotoxicity, in particular against cell lines derived from T-ALL with high AKR1C3 expression, with IC 50 values in the low nM range. OBI-3424 also exerts potent cell killing against ALL PDXs, and the median IC 50 values were 60.3 nM for B-ALL, 9.7 nM for T-ALL and 31.5 nM for ETP-ALL. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

OBI-3424 (0.5-2.5 mg/kg; i.p.; once weekly; for 3 weeks) treatment induces regressions in PDXs mice and results in prolongation of mouse event-free survival . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Female NSG mice (20-25 g) bearing patient-derived xenografts (PDX) Dosage: 0.5 mg/kg, 1 mg/kg, 2.5 mg/kg Administration: Intraperitoneal injection; once weekly; for 3 weeks Result: Resulted in prolongation of mouse event-free survival.

Form:-20°C Solid,>-20°C Oil

仕様

同義語

Obi 3424 | Phosphinic acid, P,P-bis(1-aziridinyl)-, (1R)-1-(3-(3-((dimethylamino)carbonyl)phenoxy)-4-nitrophenyl)ethyl ester | TH-3424 | 3-(5-((1R)-1-(Bis(aziridin-1-yl(phosphoryloxy)ethyl)-2-nitrophenoxy)-N,N-dimethylbenzamide | OBI3424 | OBI-3424 | 3-[5-[(1R)-1-[bis(aziridin-1-yl)phosphoryloxy]ethyl]-2-nitrophenoxy]-N,N-dimethylbenzamid もっと見る

仕様と純度

≥99%

生化学的・生理学的メカニズム

OBI-3424 (TH-3424) is a proagent that is selectively converted by AKR1C3 (aldo-keto reductase 1C3) to a potent DNA-alkylating agent. OBI-3424 can be used for hepatocellular carcinoma, castrate-resistant prostate cancer , and acute lymphoblastic leukemia (

保管条件

Protected from light,Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

CROSS-LINKING AGENT

作用メカニズム

DNA cross-linking agent

純度

≥99%

製品の性質

ALogP

2.2

名前と識別子

カノニカル・スマイル

CC(C1=CC(=C(C=C1)[N+](=O)[O-])OC2=CC=CC(=C2)C(=O)N(C)C)OP(=O)(N3CC3)N4CC4

IUPAC Name

3-[5-[(1R)-1-[bis(aziridin-1-yl)phosphoryloxy]ethyl]-2-nitrophenoxy]-N,N-dimethylbenzamide

InChIKey

NWGZZGNICQFUHV-OAHLLOKOSA-N

INCHI

1S/C21H25N4O6P/c1-15(31-32(29,23-9-10-23)24-11-12-24)16-7-8-19(25(27)28)20(14-16)30-18-6-4-5-17(13-18)21(26)22(2)3/h4-8,13-15H,9-12H2,1-3H3/t15-/m1/s1

異性体SMILES

C[C@H](C1=CC(=C(C=C1)[N+](=O)[O-])OC2=CC=CC(=C2)C(=O)N(C)C)OP(=O)(N3CC3)N4CC4

代替CAS番号

2097713-68-1

PubChem CID

126961329

分子量

460.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Nitrobenzenes Benzamides Phenoxy compounds Phenol ethers Nitroaromatic compounds Benzoyl derivatives Phosphoric monoester diamides Phosphate esters Tertiary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Aziridines Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Nitrobenzene - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Nitroaromatic compound - Phenol ether - Benzoyl - Phosphoric monoester diamide - Organic phosphoric acid amide - Phosphoric acid ester - Organic phosphoric acid derivative - Tertiary carboxylic acid amide - Organic nitro compound - C-nitro compound - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Carboxylic acid derivative - Aziridine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

化学的性質と物理的性質

• 溶解度: DMSO : 50 mg/mL (108.60 mM; Need ultrasonic)

よくある質問

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, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 2097713-68-1, the molecular formula is C21H25N4O6P, and the molecular weight is 460.42 g/mol. InChIKey NWGZZGNICQFUHV-OAHLLOKOSA-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.