Dasabuvir | CAS No. 1132935-63-7

Dasabuvir

Basic Information

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CAS Number

1132935-63-7

Molecular Formula

C26H27N3O5S

Molecular Weight

493.59 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

SMILES

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CC(C)(C)C1=CC(=CC(=C1OC)C2=CC3=C(C=C2)C=C(C=C3)NS(=O)(=O)C)N4C=CC(=O)NC4=O

InChI

InChI=1S/C26H27N3O5S/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18/h6-15,28H,1-5H3,(H,27,30,31)

InChIKey

NBRBXGKOEOGLOI-UHFFFAOYSA-N

LogP

4.023600000000002

Topological Polar Surface Area

110.25999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

938

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

ABT333
N-(6-(3-(tert-Butyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)naphthalen-2-yl)methanesulfonamide
ABT-333
Dasabuvir
Dasabuvir (ABT-333)
N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide
ABT 333
DE54EQW8T1
N-(6-(3-tert-Butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)naphthalen-2-yl)methanesulfonamide
AK145466
C26H27N3O5S
Dasabuvir [INN]
N-{6-[3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl]naphthalen-2-yl}methanesulfonamide
Dasabuvir [USAN:INN]
dasabuvir-abt
NBRBXGKOEOGLOI-UHFFFAOYSA-N
1221573-79-0
AM808018
NS00003784
N-(6-(3-tert-butyl-5(2,4-dioxo -3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl)naphthalen-2-yl)methanesulfonamide
CCG-269640
N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxy-phenyl]-2-naphthyl]methanesulfonamide
AC-28957
NCGC00378604-01
N-{6-[3-tert-butyl-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl}methanesulfonamide
Sodium 3-(3-tert-butyl-4-methoxy-5-{6- [(methylsulfonyl)amino]naphthalene-2-yl}phenyl)-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-ide hydrate (1:1:1)
A894448
1132935-63-7
Dasabuvir(ABT-333)
NCGC00378604-04
Methanesulfonamide, N-(6-(5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-(1,1-dimethylethyl)-2-methoxyphenyl)-2-naphthalenyl)-

MDL Number

MFCD27923655

FAQ

What are the physical and chemical properties of Dasabuvir (CAS: 1132935-63-7)?

Dasabuvir (CAS: 1132935-63-7) is a white to off-white crystalline compound with a molecular weight of approximately 451.38 g/mol. It is sparingly soluble in water and ethanol. Chemically, it is stable under normal conditions but may react with strong bases. Its stability is pH-dependent, with increased degradation in basic solutions.

How is Dasabuvir (CAS: 1132935-63-7) typically synthesized?

Dasabuvir is synthesized through a multi-step process involving protection of the hydroxyl group, coupling with an amine, and subsequent deprotection. Commonly used catalysts include palladium and other transition metals. The overall yield is around 60%, with high selectivity towards the desired product.

What industries use Dasabuvir (CAS: 1132935-63-7)?

Dasabuvir is primarily used in the pharmaceutical industry, particularly in the development of antiviral drugs for the treatment of hepatitis C. It is not typically used in other industries like polymers, sensors, or semiconductors.

What precautions should be taken when handling Dasabuvir (CAS: 1132935-63-7)?

When handling Dasabuvir, use personal protective equipment such as gloves, goggles, and lab coats. Work in a well-ventilated area or fume hood to avoid inhalation. Store at room temperature away from direct sunlight and moisture. In case of spill, use appropriate absorbents and follow the safety data sheet (SDS) guidelines for disposal.