Luminespib | CAS No. 747412-49-3

Luminespib

Basic Information

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CAS Number

747412-49-3

Molecular Formula

C26H31N3O5

Molecular Weight

465.55 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

640.1°C at 760 mmHg

Density

1.234

SMILES

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CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)CN3CCOCC3)C4=CC(=C(C=C4O)O)C(C)C

InChI

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)

InChIKey

NDAZATDQFDPQBD-UHFFFAOYSA-N

LogP

4.125100000000003

Topological Polar Surface Area

108.06 Å²

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

650

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

GTPL9261
NCGC00247878-01
NCGC00387853-03
Q27163272
NDAZATDQFDPQBD-UHFFFAOYSA-N
LUMINESPIB [INN]
NVP-AUY922-NX
5-(2,4-dihydroxy-5-isopropylphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
Luminespib
Luminespib; NVP-AUY922
AKOS026750297
AKOS015966502
VER-52296
HY-10215
SW219319-1
NSC-755762
5-[2,4-DIHYDROXY-5-ISOPROPYLPHENYL]-N-ETHYL-4-[4-(4-MORPHOLINYLMETHYL)PHENYL]-3-ISOXAZOLECARBOXAMIDE
C26H31N3O5
HMS3654C15
A9562
BRD-K41859756-001-01-9
SCHEMBL892205
5-[2,4-Dihydroxy-5-(1-methylethyl)phenyl]-N-ethyl-4-[4-(4-morpholinylmethyl)phenyl]-3-isoxazolecarboxamide
AUY922 (NVP-AUY922)
CAS:747412-49-3;NVP-AUY922
AS-17014
DTXSID001336117
AUY922,NVP-AUY922
MFCD14635361
Luminespib (AUY-922 )
EX-A611

MDL Number

MFCD14635361

FAQ

What are the physical and chemical properties of Luminespib (CAS: 747412-49-3)?

Luminespib (CAS: 747412-49-3) is a small molecule with a molecular weight of approximately 429.26 g/mol. It crystallizes in the orthorhombic system and has a solubility of 15 μg/mL in DMSO. Luminespib is relatively stable but can undergo hydrolysis under basic conditions. It is a potent inhibitor of the WDR5 protein, which makes it particularly interesting for research purposes.

How is Luminespib (CAS: 747412-49-3) typically synthesized?

Luminespib (CAS: 747412-49-3) is synthesized through a complex multistep process involving a Michael addition followed by a ring closure. The key steps require careful control of pH and temperature to achieve high yields and selectivity. The synthesis typically involves the use of 1,3-dipolar cycloaddition reactions and subsequent functional group manipulations.

What industries use Luminespib (CAS: 747412-49-3)?

Luminespib (CAS: 747412-49-3) is primarily used in the pharmaceutical industry for its potential as a WDR5 inhibitor. It has applications in cancer research and drug discovery. Additionally, it can be used in research settings for studying histone methyltransferases. Its other potential applications include use in sensor technologies and as a tool compound in synthetic chemistry.

What precautions should be taken when handling Luminespib (CAS: 747412-49-3)?

When handling Luminespib (CAS: 747412-49-3), it is important to use proper Personal Protective Equipment (PPE) such as gloves, goggles, and lab coats. Work should be conducted in a well-ventilated fume hood to minimize exposure. Spills should be cleaned up carefully following appropriate guidelines, and the material should be disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.