NVX-207 - ≥98% , CAS No.745020-66-0

CAS: 745020-66-0 Cat. No.: N649434 分子式: C₃₆H₅₉NO₆ 分子量: 601.86 PubChem CID: 9960374

GRADE & PURITY ≥98%

Synonyms

LUP-20(29)-EN-28-OIC ACID, 3-(ACETYLOXY)-, 2-AMINO-3-HYDROXY-2-(HYDROXYMETHYL)PROPYL ESTER, (3.BETA.)- | 2-AMINO-3-HYDROXY-2-(HYDROXYMETHYL)PROPYL (3.BETA.)-3-(ACETYLOXY)LUP-20(29)-EN-28-OATE | AKOS040742323 | Q2RA5BK4A7 | HY-101597 | 2-Amino-3-hydroxy-2-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

NVX-207, a Betulinic acid-derived anti-cancer compound, shows anti-tumor activity (mean IC 50 =3.5 μM) against various human and canine cell lines. NVX-207-induced apoptosis is associated with activation of the intrinsic apoptotic pathway via cleavage of caspases -9, -3, -7 and of PARP.

In Vitro

NVX-207 induces cell death via apoptosis. NVX-207 has a high cytotoxicity with IC 50 values ranging from 7.6-8.5 µM, in the three analyzed malignant glioma cell lines. NVX-207 leads to PARP cleavage and to a decrease in Survivin expression levels under normoxic and hypoxic conditions. NVX-207 (20 µM) causes a significantly high rate of necrosis of glioma cell lines. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Intravenous application of NVX-207 in mice is well tolerated . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Cell Assay

Cytotoxic activities are evaluated using the Sulforhodamine-B (SRB) assay. Exponentially growing cells are seeded into 96-well plates at cell densities to prevent confluence for 96 h. After 24 h, the cells are treated using a dilution series of the compounds for 72 h under normoxic or hypoxic conditions. After treatment, the adherent cells are fixed using 10% TCA at 4°C for 1 h; the cells are washed with ice-cold water and are dyed using 100 µL of 4.4% SRB solution for 10 min. After staining, the plates are washed with 1% acetic acid and air-dried overnight. Three hundred microliters of 20 mM Tris base solution is added, and the absorbance is measured at 540 nm using a 96-well plate reader. The IC 50 values indicate the concentrations of the compound that cause 50% cell inhibition. The data are obtained in three independent experiments. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

同義語

LUP-20(29)-EN-28-OIC ACID, 3-(ACETYLOXY)-, 2-AMINO-3-HYDROXY-2-(HYDROXYMETHYL)PROPYL ESTER, (3.BETA.)- | 2-AMINO-3-HYDROXY-2-(HYDROXYMETHYL)PROPYL (3.BETA.)-3-(ACETYLOXY)LUP-20(29)-EN-28-OATE | AKOS040742323 | Q2RA5BK4A7 | HY-101597 | 2-Amino-3-hydroxy-2-

仕様と純度

≥98%

生化学的・生理学的メカニズム

NVX-207, a Betulinic acid-derived anti-cancer compound, shows anti-tumor activity (mean IC 50 =3.5 μM) against various human and canine cell lines. NVX-207-induced apoptosis is associated with activation of the intrinsic apoptotic pathway via cleavage of

保管条件

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。

純度

≥98%

名前と識別子

• カノニカル・スマイル: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C(=O)OCC(CO)(CO)N
• IUPAC Name: [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
• InChIKey: KQZVSTAVTJCKDG-DRSBITMPSA-N
• INCHI: 1S/C36H59NO6/c1-22(2)24-11-16-36(30(41)42-21-35(37,19-38)20-39)18-17-33(7)25(29(24)36)9-10-27-32(6)14-13-28(43-23(3)40)31(4,5)26(32)12-15-34(27,33)8/h24-29,38-39H,1,9-21,37H2,2-8H3/t24-,25+,26-,27+,28-,29+,32-,33+,34+,36-/m0/s1
• 異性体SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)C(=O)OCC(CO)(CO)N
• 代替CAS番号: 745020-66-0
• PubChem CID: 9960374
• MeSH用語: 2-amino-3-hydroxy-2-hydroxymethylpropyl 3-acetylbetulinoate;NVX-207
• 分子量: 601.86

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Oxosteroids Dicarboxylic acids and derivatives Carboxylic acid esters Amino acids and derivatives 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - 18-oxosteroid - Oxosteroid - Steroid - Dicarboxylic acid or derivatives - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic nitrogen compound - Primary alcohol - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - Alcohol - Aliphatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• 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

関連ターゲット（人間）

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A-431 (6446 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO : 125 mg/mL (207.69 mM; Need ultrasonic)
• 分子量: 601.900 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 601.434 Da
• Monoisotopic Mass: 601.434 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 1130.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• 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

よくある質問

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 745020-66-0, the molecular formula is C36H59NO6, and the molecular weight is 601.86 g/mol. InChIKey KQZVSTAVTJCKDG-DRSBITMPSA-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.