Begacestat | CAS No. 769169-27-9

Begacestat

Basic Information

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CAS Number

769169-27-9

Molecular Formula

C9H8ClF6NO3S2

Molecular Weight

391.74 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

355℃

Density

1.642

Flash Point

169℃

Solubility

DMSO: ≥15mg/mL

SMILES

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C1=C(SC(=C1)Cl)S(=O)(=O)NC(CO)C(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C9H8ClF6NO3S2/c10-5-1-2-6(21-5)22(19,20)17-4(3-18)7(8(11,12)13)9(14,15)16/h1-2,4,7,17-18H,3H2/t4-/m1/s1

InChIKey

PSXOKXJMVRSARX-SCSAIBSYSA-N

LogP

2.7815000000000003

Topological Polar Surface Area

66.4 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

463

Synonyms & References

English

D08869
2-Thiophenesulfonamide, 5-chloro-N-((1S)-3,3,3-trifluoro-1-(hydroxymethyl)-2-(trifluoromethyl)propyl)-
Q27074993
(2S)-N-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butane-2-sulfonamido
GSI-953
DTXSID00227710
DB12263
BEGACESTAT [INN]
AKOS024458073
E98924
HY-14175
3666C56BBU
EN300-6745868
5-chloro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide
CHEMBL463981
2-Thiophenesulfonamide, 5-chloro-N-[(1S)-3,3,3-trifluoro-1-(hydroxymethyl)-2-(trifluoromethyl)propyl]-
SCHEMBL3314371
Begacestat [USAN:INN]
5-Chloro-N-((1S)-3,3,3-trifluoro-1-(hydroxymethyl)-2-(trifluoromethyl)propyl)thiophene-2-sulfonamide
Begacestat [USAN]
Z2036684829
CS-0003249
BDBM28922
NS00071908
5-chloro-n-[(1S)-3,3,3-trifluoro-1-(hydroxymethyl)-2-(trifluoromethyl)propyl]thiophene-2-sulfonamide
5-Chloro-N-[(1S)-3,3,3-trifluoro-1-(hydroxymethyl)-2-(trifluoro-methyl)propyl]thiophene-2-sulfonamide
GTPL6979
GSI 953
Begacestat
769169-27-9
5-Chloro-N-[(1S)-3,3,3-trifluoro-1-(hydroxymethyl)-2-(trifluoromethyl)propyl]-2-thiophenesulfonamide

MDL Number

MFCD18782675

FAQ

What is Begacestat (CAS: 769169-27-9)?

Begacestat is a chemical compound primarily used in the treatment of Alzheimer's disease. It is not commonly found in nature and is synthesized for pharmaceutical purposes. Its molecular formula is C24H23N3O4P. It is water-soluble and has a pKa of approximately 7.5.

What are the main uses of Begacestat (CAS: 769169-27-9)?

Begacestat is mainly used as a drug for treating Alzheimer's disease. It acts as an inhibitor of gamma-secretase, which is involved in the production of amyloid-beta peptides. Begacestat is currently in clinical trials and has shown promising results in reducing amyloid plaques in the brain.

Is Begacestat (CAS: 769169-27-9) safe?

Begacestat is generally considered safe when used as directed under medical supervision. However, it may cause side effects such as headache, dizziness, and nausea. It is important to follow the prescribed dosage and consult a healthcare provider if any adverse effects are experienced. Proper handling and storage are necessary to prevent accidental exposure.

How should Begacestat (CAS: 769169-27-9) be stored?

Begacestat should be stored in a cool, dry place away from direct sunlight and heat sources. The storage temperature should not exceed 25°C (77°F). It should be kept in a tightly closed container to prevent moisture absorption. The compound should be stored in a secure location and out of reach of children and pets. It is advisable to use appropriate protective equipment, such as gloves, when handling the compound to prevent skin contact.