{[5-Bromo-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

Basic Information

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CAS Number

878672-00-5

Molecular Formula

C17H14BrN3O2S

Molecular Weight

404.29 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 Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

643.7°C at 760 mmHg

SMILES

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OC(=O)CSc1nnc(Br)n1c2ccc(C3CC3)c4ccccc24

InChI

InChI=1S/C17H14BrN3O2S/c18-16-19-20-17(24-9-15(22)23)21(16)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-8,10H,5-6,9H2,(H,22,23)

InChIKey

FGQFOYHRJSUHMR-UHFFFAOYSA-N

LogP

4.2371000000000025

Topological Polar Surface Area

68.00999999999999 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

479

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Lesinurad
2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid(Lesinurad (RDEA594))
2-[[5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]Acetic acid
2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Lesinurad impurity
Lesinuras
RDEA 594
CS-1389
Lessinurad
RDEA
RDEA-594
2-[[5-Bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]-acetic acid
RDEA594
Zurampic
2-((5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
09ERP08I3W
AK323774
2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]thio]acetic acid
C17H14BrN3O2S
2-(5-Bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid
{[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Lesinurad [USAN:INN]
Zurampic (TN)
2-{[5-broMo-4-(4-cyclo
2-[[5-Bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid (ACI)
Acetic acid, [[5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]- (9CI)
2-[[5-Bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
2-[[5-Bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]thio]acetic acid
Lesinida
READ 594

MDL Number

MFCD22572730

FAQ

What is {[5-Bromo-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS: 878672-00-5)?

{[5-Bromo-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS: 878672-00-5) is a synthetic organic compound containing a triazole ring, a bromo group, and a sulfanyl group attached to an acetic acid moiety. It is typically used in research settings and has a molecular formula of C16H14BrN3O2S. The compound is solid at room temperature and exhibits moderate solubility in polar solvents.

What are the main uses of {[5-Bromo-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS: 878672-00-5)?

{[5-Bromo-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS: 878672-00-5) is primarily used in pharmaceutical research for the development of potential therapeutic agents. It may serve as a building block for drug discovery, particularly in the synthesis of compounds with biological activity. Additionally, it is used in chemical research for studying molecular interactions and reaction mechanisms.

Is {[5-Bromo-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS: 878672-00-5) safe?

Safety of {[5-Bromo-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS: 878672-00-5) depends on its handling and exposure conditions. As a chemical compound, it should be treated with care, and proper protective equipment such as gloves and goggles is recommended. It is not classified as highly toxic, but safety standards for chemical handling should be followed to minimize risk.

How should {[5-Bromo-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS: 878672-00-5) be stored?

{[5-Bromo-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS: 878672-00-5) should be stored in a cool, dry, and dark place. It is best kept in a sealed container away from moisture and light to maintain stability. Storage at temperatures below 25°C is recommended, and it should be kept in a well-ventilated area to avoid inhalation risks.

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{[5-Bromo-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid | CAS No. 878672-00-5

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Boiling Point

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

FAQ

What is {[5-Bromo-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS: 878672-00-5)?

What are the main uses of {[5-Bromo-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS: 878672-00-5)?

Is {[5-Bromo-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS: 878672-00-5) safe?

How should {[5-Bromo-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS: 878672-00-5) be stored?

Related Compounds

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