NVP-AUY922 - Moligand™, ≥98% , Inhibitor of heat shock protein 90 alpha family class B member 1;Inhibitor of TNF receptor associated protein 1, CAS No.747412-49-3, Inhibitor of heat shock protein 90 alpha family class B member 1;Inhibitor of TNF receptor associated protein 1

CAS: 747412-49-3 Cat. No.: N126962 Peso molecular: 465.54

GRADE & PURITY Moligand™, ≥98%

Synonyms

AUY922 (NVP-AUY922) | NVP-AUY 922 | C6V1DAR5EB | VER-52296 | AUY922 | AUY-922 | VER 52296 | Luminespib (AUY-922 ) | 5-(2,4-dihydroxy-5-isopropylphenyl)-N-ethyl-4-(4-(morpholinomethyl)phenyl)isoxazole-3-carboxamide | Luminespib | Luminespib (NVP-AUY922)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Luminespib (AUY-922, NVP-AUY922) is a highly potent HSP90 inhibitor for HSP90α/β with IC50 of 13 nM /21 nM, weaker potency against the HSP90 family members GRP94 and TRAP-1, exhibits the tightest binding of any small-molecule HSP90 ligand. Phase 2.
A highly potent HSP90 inhibitor to HSP90α and HSP90β

Specifications

Sinónimos

AUY922 (NVP-AUY922) | NVP-AUY 922 | C6V1DAR5EB | VER-52296 | AUY922 | AUY-922 | VER 52296 | Luminespib (AUY-922 ) | 5-(2, 4-dihydroxy-5-isopropylphenyl)-N-ethyl-4-(4-(morpholinomethyl)phenyl)isoxazole-3-carboxamide | Luminespib | Luminespib (NVP-AUY922)

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

NVP-AUY922 inhibits proliferation of various human cancer cell lines in vitro, with an average GI50 of 9 nM. The IC50 values of NVP-AUY922 fall in the range of 2 to 40 nM in these gastric cancer cell lines. IC50 value for the BEAS-2B cells is 28.49 nM. Tr

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of heat shock protein 90 alpha family class B member 1;Inhibitor of TNF receptor associated protein 1

Pureza

≥98%

Propiedades del producto

• ALogP: 3.5

Nombres e identificadores

• Sonrisas canónicas: CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C
• IUPAC Name: 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
• InChIKey: NDAZATDQFDPQBD-UHFFFAOYSA-N
• INCHI: 1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32)
• Isómeros SMILES: CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C
• CAS alternativo: 747412-49-3
• Términos de entrada MeSH: 5-(2,4-dihydroxy-5-isopropylphenyl)-4-(4-morpholin-4-ylmethylphenyl)isoxazole-3-carboxylic acid ethylamide;5-(2,4-dihydroxy-5-isopropylphenyl)-N-ethyl-4-(4-(morpholinomethyl)phenyl)isoxazole-3-carboxamide;AUY922;luminespib;NVP-AUY922;VER 52296;VER-52296;V
• Peso molecular: 465.54
• Reaxy-Rn: 12046798
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12046798&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Cumenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Cumenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cumenes
• Alternative Parents: Phenylpropanes Resorcinols Phenylmethylamines 2-heteroaryl carboxamides Benzylamines 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Morpholines Isoxazoles Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Cumene - Phenylpropane - 2-heteroaryl carboxamide - Benzylamine - Phenylmethylamine - Resorcinol - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Morpholine - Oxazinane - Azole - Heteroaromatic compound - Isoxazole - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
• External Descriptors: monocarboxylic acid amide - resorcinols - aromatic amide - morpholines - isoxazoles

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

Objetivos asociados (humanos)

HSP90B1 Tchem Endoplasmin (0 Activities)

Discover Target: HSP90B1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TRAP1 Tchem Heat shock protein 75 kDa, mitochondrial (1 Activities)

Discover Target: TRAP1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HSP90AA1 Tchem Heat shock protein HSP 90-alpha (0 Activities)

Discover Target: HSP90AA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HSP90AB1 Tchem Heat shock protein HSP 90-beta (1 Activities)

Discover Target: HSP90AB1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO (100 mg/mL), ethanol (100 mg/mL), and water (very poorly soluble).
• Peso molecular: 465.500 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 465.226 Da
• Monoisotopic Mass: 465.226 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 650.000
• 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

Referencias

1. Wenzhe Kong, Xudong Ding, Zhaoyu Wang, Lu Lu, Saijun Fan.  (2025)  NVP-AUY922 relieves radiation-induced intestinal injury via regulating EPHX1.  LIFE SCIENCES,      [PMID:39798648] [10.1016/j.lfs.2025.123382]

2. Huifang Hao, Zhe Yu, Cheng Cao, Yingao Jiao, Yu Cao, Xinyuan Cui, Yan Gao, Dengyao Gao, Shengsheng Cui, Chenyu Wang, Yanlei Liu.  (2026)  Non-Small Cell Lung Cancer Treatment via Cu9S8-Mediated NIR-II Photothermal Therapy.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.6c00609]