Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
このグレードを選ぶ理由
Moligand™,≥98% Moligand™ ベースライン干渉を最小限に抑える必要がある、感度の高いクロマトグラフィーおよび分析ワークフロー向け。
保管・配送
Store at -20°C,Argon charged Ice chest + Ice pads に出荷。正確な仕様については、ロット固有の COA をご確認ください。
品質書類
SDS、COA、データシート、仕様書をダウンロードできます。ロット固有の COA はロット番号検索で入手可能です。
文献的裏付け
クロマトグラフィー、有機合成、クロスカップリング反応に関する 0 件の査読済み論文で引用されています。
概要
NBDHEX is a potent glutathione S-transferase P1-1 (GSTP1-1) inhibitor. NBDHEX induces apoptosis of tumor cells. NBDHEX acts as an anticancer agent by inhibiting GSTs catalytic activity, avoiding inconvenience of the inhibitor extrusion from the cell by specific pumps and disrupting the interaction between the GSTP1-1 and key signaling effectors. NBDHEX can also act as late-phase autophagy inhibitor
In Vitro
NBDHEX (0.05-20 μM; 48 hours; H69 and H69AR cells) is cytotoxic toward cell lung cancer H69 and H69AR cells. NBDHEX (0-5 μM; 24 hours; H69AR cells) treatment results in a dose-dependent apoptosis in the H69AR cell line. NBDHEX (3 μM; 1-12 hours; H69AR cells) treatment increases the phosphorylation of JNK/c-Jun in H69AR cells in a time-dependent fashion. NBDHEX treatment shows a marked increase in phosphorylation of p38 MAPK , and also increases GSSG content in a time-dependent manner in H69 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: H69 and H69AR cells Concentration: 0.05-20 μM Incubation Time: 48 hours Result: The dose-response profiles revealed a good cytotoxic activity both in sensitive H69 cell line (LC 50 of 2.3 μM) and in its Adriamycin-resistant counterpart H69AR (LC 50 of 4.5 μM). Apoptosis AnalysisCell Line: H69AR cells Concentration: 0 μM, 0.5 μM, 1 μM, 2 μM, 3 μM, 4 μM, 5 μM Incubation Time: 24 hours Result: Resulted in a dose-dependent apoptosis in the H69AR cell line. Western Blot AnalysisCell Line: H69AR cells Concentration: 3 μM Incubation Time: 1 hour,3 hours, 6 hours, 12 hours Result: Increased the phosphorylation of JNK/c-Jun in H69AR cells in a time-dependent fashion.
In Vivo
NBDHEX (0.8-80 mg/kg/day; oral administration; daily; for 15 days; SCID female mice) treatment results a statistically significant tumour inhibition (approximately 70%). MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: SCID female mice (4-5 weeks) injected with Me501cellsDosage: 0.8 mg/kg/day, 8.0 mg/kg/day or 80 mg/kg/day Administration: Oral administration; daily; for 15 days Result: A statistically significant tumour inhibition (approximately 70%) was observed.
Form:Solid
IC50& Target:Glutathione S-transferase P1-1 (GSTP1-1), ,Apoptosis, ,Autophagy
仕様
仕様と純度
Moligand™,≥98%
生化学的・生理学的メカニズム
NBDHEX is a potent glutathione S-transferase P1-1 (GSTP1-1) inhibitor. NBDHEX induces apoptosis of tumor cells. NBDHEX acts as an anticancer agent by inhibiting GSTs catalytic activity, avoiding inconvenience of the inhibitor extrusion from the cell by sp
保管条件
Store at -20°C,Argon charged
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。
等級
Moligand™
アクションタイプ
INHIBITOR
純度
≥98%
名前と識別子
カノニカル・スマイル
C1=C(C2=NON=C2C(=C1)SCCCCCCO)[N+](=O)[O-]
IUPAC Name
6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol
InChIKey
RGXYYAZGELLKDA-UHFFFAOYSA-N
INCHI
1S/C12H15N3O4S/c16-7-3-1-2-4-8-20-10-6-5-9(15(17)18)11-12(10)14-19-13-11/h5-6,16H,1-4,7-8H2
異性体SMILES
C1=C(C2=NON=C2C(=C1)SCCCCCCO)[N+](=O)[O-]
PubChem CID
9817686
MeSH用語
6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol;NBDHEX compound
分子量
297.33
ドキュメント
📋 安全データシート（SDS）
危険性、取扱い、保管、および規制遵守を網羅した包括的な文書。
<<<<<<< HEAD SDS をダウンロード → ======= SDS をダウンロード → >>>>>>> release248-p3詳細データ
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| 分類 | Benzoxadiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxadiazoles |
| Alternative Parents | Thiophenol ethers Nitroaromatic compounds Alkylarylthioethers Furazans Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds Primary alcohols |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoxadiazole - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Alkylarylthioether - Benzenoid - Azole - Furazan - Heteroaromatic compound - Oxadiazole - C-nitro compound - Organic nitro compound - Organic oxoazanium - Oxacycle - Thioether - Azacycle - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic zwitterion - Organic salt - Hydrocarbon derivative - Alcohol - Organonitrogen compound - Aromatic heteropolycyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as benzoxadiazoles. These are organic compounds containing a benzene fused to an oxadiazole ring (a five-membered ring with two carbon atoms, one nitrogen atom, and one oxygen atom). |
| External Descriptors | Not available |
3 D構造
インタラクティブ化学構造モデル
関連ターゲット（人間）
GSTP1 Tchem Glutathione S-transferase P (1 Activities)
GSTM2 Tchem Glutathione S-transferase Mu 2 (2 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
GSTM2 Tchem Glutathione S-transferase Mu 2 (77 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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GSTP1 Tchem Glutathione S-transferase Pi (449 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
143B (353 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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U2OS (164939 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
A549 (127892 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
HOS (906 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
HUVEC (11049 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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関連ターゲット（非人間）
Giardia intestinalis (1290 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
作用メカニズム
証明書（CoA、COO、BSE/TSEと分析図）
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.
| Lot Number | Certificate Type | 日付 | 商品 |
|---|---|---|---|
 H2626319 | Certificate of Analysis | Mar 18, 2026 | N648287 |
| H2626320 | Certificate of Analysis | Mar 18, 2026 | N648287 |
| H2626321 | Certificate of Analysis | Mar 18, 2026 | N648287 |
| H2626322 | Certificate of Analysis | Mar 18, 2026 | N648287 |
化学的性質と物理的性質
| 溶解度 | DMSO : 125 mg/mL (420.41 mM; Need ultrasonic) |
|---|---|
| 分子量 | 297.330 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 297.078 Da |
| Monoisotopic Mass | 297.078 Da |
| Topological Polar Surface Area | 130.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 316.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
ソリューション計算機
レビュー
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