Ledipasvir | CAS No. 1256388-51-8

Ledipasvir

Basic Information

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CAS Number

1256388-51-8

Molecular Formula

C49H54F2N8O6

Molecular Weight

889.02 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Solubility

Insuluble (5.9E-5 g/L) (25 ºC),

SMILES

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CC(C)C(C(=O)N1CC2(CC2)CC1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)C7=CC8=C(C=C7)N=C(N8)C9C1CCC(C1)N9C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC

InChI

InChI=1S/C49H54F2N8O6/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63)/t29-,30+,38-,39-,40-,41-/m0/s1

InChIKey

VRTWBAAJJOHBQU-KMWAZVGDSA-N

LogP

8.607300000000006

Topological Polar Surface Area

174.63999999999996 Å²

Hydrogen Bond Donor/Acceptor

4 / 14

Complexity

1820

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

Ledipasvir
GS 5885
GS-5885
GS 588
Ledipasvir (GS5885)
Ledipasvir-D6
BMS354825
Dasatinib
Methyl ((S)-1-((1R,3S,4S)-3-(6-(9,9-difluoro-7-(2-((S)-5-((methoxycarbonyl)-L-valyl)-5-azaspiro[2.4]heptan-6-yl)-1H-imidazol-5-yl)-9H-fluoren-2-yl)-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptan-
SCHEMBL15116943
DTXSID90154829
Harvoni (ledipasvir + sofosbuvir)
CHEMBL2374220
013TE6E4WV
HY-15602
Ledipasvir?
LEDIPASVIR [INN]
Methyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbama
CS-1653
Methyl N-[(2S)-1-[(6S)-6-[5-[9,9-Difluoro-7-[2-[(1S,2S,4R)-3-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-3-azabicyclo[2.2.1]heptan-2-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate
GS5885
SCHEMBL2706494
VRTWBAAJJOHBQU-KMWAZVGDSA-N
Methyl ((1S)-1-((1R,3S,4S)-3-(5-(9,9-difluoro-7-(2-((6S)-5-(N-(methoxycarbonyl)- l-valyl)-5-azaspiro(2.4)hept-6-yl)-1H-imidazol-4-yl)-9H-fluoren-2-yl)-1H-benzimidazol-2-yl)-2-azabicyclo(2.2.1)heptane-2-carbonyl)-2-methylpropyl)carbamate
EN300-37158594
Q15409409
Methyl ((S)-1-((S)-6-(5-(9,9-difluoro-7-(2-((1R,3S,4S)-2-((methoxycarbonyl)-L-valyl)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]imidazol-6-yl)-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate
NCGC00378990-05
LEDIPASVIR [VANDF]
AS-56214
methyl N-[(1S)-1-[(5S)-5-[5-[9,9-difluoro-7-[2-[(1S,2S,4R)-3-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-3-azabicyclo[2.2.1]heptan-2-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-6-azaspiro[2.4]heptane-6-carbonyl]-2-methyl-propyl]carbamate

MDL Number

MFCD25976756

FAQ

What is Ledipasvir (CAS: 1256388-51-8)?

Ledipasvir (CAS: 1256388-51-8) is an antiviral medication classified as a nucleoside analog. It has the chemical formula C21H26N4O6S and is primarily used for treating chronic hepatitis C virus (HCV) infections. The compound is known for its ability to inhibit HCV protease, making it a key component in combination therapies.

What are the main uses of Ledipasvir (CAS: 1256388-51-8)?

Ledipasvir (CAS: 1256388-51-8) is mainly used in pharmaceuticals to treat hepatitis C virus (HCV) infections, often combined with Sofosbuvir. It targets the HCV protease enzyme, preventing viral replication. Its applications also include research for antiviral drug development and potential use in other therapeutic areas.

Is Ledipasvir (CAS: 1256388-51-8) safe?

Ledipasvir (CAS: 1256388-51-8) is generally safe when used as prescribed, but it may cause side effects such as headache, fatigue, or nausea. Safety standards ensure it meets regulatory requirements for pharmaceutical use. Proper handling and protective measures are necessary during storage and administration to minimize risks.

How should Ledipasvir (CAS: 1256388-51-8) be stored?

Ledipasvir (CAS: 1256388-51-8) should be stored in a cool, dry place at 20-25°C (68-77°F), away from light. It requires a sealed container to maintain stability and prevent moisture exposure. Avoid freezing and keep it in a secure location to ensure shelf life and efficacy.