UC-514321 - ≥98% , CAS No.299420-83-0

CAS: 299420-83-0 Cat. No.: U647255 分子式: C₂₆H₃₅NO₅ 分子量: 441.56 PubChem CID: 339892

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

UC-514321, a structural analog of NSC370284 with higher activity, directly targets STAT3/5 and represses TET1 expression, but not TET2 or TET3. UC-514321 has the potential to treat acute myeloid leukemia (AML) both in vitro and in vivo, with low toxicity

In Vitro

UC-514321 increases apoptosis in AML cells not in normal HSPCs. UC-514321 (0-500 nM, 48 h) inhibits AML cells viability TET1-signaling dependently. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: MONOMAC-6, THP-1, KOCL-48, KASUMI-1, ML-2, and NB4 cells. Concentration: 0-500 nM. Incubation Time: 48 hours. Result: Most significantly repressed MONOMAC-6 cell viability. Showed no inhibitory effect on the viability of TET1-low AML. RT-PCRCell Line: MONOMAC-6 cells. Concentration: 0-500 nM. Incubation Time: 48 hours. Result: Functioned as TET1-transcription inhibitors in TET1-high AMLs and their anti-leukemic effects are TET1-dependent.

In Vivo

UC-514321 (2.5 mg/kg, ip, once per day, for 10 days) exhibits more potent anti-tumor activity than NSC370284 in AML mice models . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: MLL-AF9-AML mice and AE9a-AML model . Dosage: 2.5 mg/kg. Administration: IP., once per day, for 10 days. Result: Showed an improved therapeutic effect in AML mouse models in vivo. Prolonged the median survival over three fold.

Form:Solid

IC50& Target:STAT3 STAT5 TET1

Specifications

仕様と純度

≥98%

生化学的・生理学的メカニズム

UC-514321, a structural analog of NSC370284 with higher activity, directly targets STAT3/5 and represses TET1 expression, but not TET2 or TET3. UC-514321 has the potential to treat acute myeloid leukemia (AML) both in vitro and in vivo, with low toxicity

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)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC3=C(C=C2O)OCO3)N4CCOCC4
• IUPAC Name: 6-[(3,5-ditert-butyl-4-hydroxyphenyl)-morpholin-4-ylmethyl]-1,3-benzodioxol-5-ol
• InChIKey: XNARHFDDQALZPZ-UHFFFAOYSA-N
• INCHI: 1S/C26H35NO5/c1-25(2,3)18-11-16(12-19(24(18)29)26(4,5)6)23(27-7-9-30-10-8-27)17-13-21-22(14-20(17)28)32-15-31-21/h11-14,23,28-29H,7-10,15H2,1-6H3
• 異性体SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC3=C(C=C2O)OCO3)N4CCOCC4
• PubChem CID: 339892
• NSC番号: 368258
• 分子量: 441.56

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzodioxoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzodioxoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodioxoles
• Alternative Parents: Phenylpropanes Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Morpholines Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodioxole - Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Acetal - Dialkyl ether - Ether - Oxacycle - Azacycle - Organopnictogen compound - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
• 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: Ethanol : 50 mg/mL (113.23 mM; Need ultrasonic) DMSO : 25 mg/mL (56.62 mM; Need ultrasonic)
• 分子量: 441.600 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 441.252 Da
• Monoisotopic Mass: 441.252 Da
• Topological Polar Surface Area: 71.400 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 599.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1