Atazanavir related compound A

Basic Information

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CAS Number

162537-11-3

Molecular Formula

C8H15NO4

Molecular Weight

189.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Physical State

Solid

Melting Point

230 °C

Boiling Point

320.9°C at 760 mmHg

Density

1.126

Flash Point

147.9℃

Solubility

Soluble in ethyl acetate and methanol.

Refractive Index

1.459

Specific Rotation

-4° ~ -6°(c=1, MeOH)

SMILES

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CC(C)(C)C(C(=O)O)NC(=O)OC

InChI

InChI=1S/C8H15NO4/c1-8(2,3)5(6(10)11)9-7(12)13-4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m1/s1

InChIKey

NWPRXAIYBULIEI-RXMQYKEDSA-N

LogP

0.8416999999999997

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

207

Safety Information

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Hazard Statement

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

CS-B0635
N-methoxycarbonyl-(L)-tert-leucine
L-Valine, N-(methoxycarbonyl)-3-methyl-
n-(methoxycarbonyl)-l-tert-leucine
methoxycarbonyl-t-leucine
NWPRXAIYBULIEI-RXMQYKEDSA-N
NS00077750
HY-59135
Q-102796
Methoxycarbonyl-L-tert-leucine
Atazanavir impurity K
AKOS010384614
Z756468680
AC-23469
(S)-2-((Methoxycarbonyl)amino)-3,3-dimethylbutanoic acid
0L7G8ZHR2P
ATAZANAVIR SULFATE IMPURITY K [EP IMPURITY]
(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethylbutanoic Acid
UNII-0L7G8ZHR2P
(2S)-2-((Methoxycarbonyl)amino)-3,3-dimethylbutanoic acid
BCP04718
MFCD07778455
N-(Methoxycarbonyl)-3-methyl-L-valine
PD196036
(S)-2-((Methoxycarbonyl)amino)-3,3-dimethylbutanoicacid
(S)-2-(Methoxycarbonylamino)-3,3-dimethylbutanoic acid
SCHEMBL6418
N-Methoxycarbonyl-L-tert-leucine
EN300-6347568
(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
AS-16159

MDL Number

MFCD07778455

Customs Code

2924199090

FAQ

What is Atazanavir related compound A (CAS: 162537-11-3)?

Atazanavir related compound A (CAS: 162537-11-3) is a chemical compound structurally similar to atazanavir, an HIV protease inhibitor. It is characterized by its molecular formula C24H28N4O4S and exhibits properties relevant to pharmaceutical research. This compound is often studied for its potential role in drug development and metabolic pathways.

What are the main uses of Atazanavir related compound A (CAS: 162537-11-3)?

Atazanavir related compound A (CAS: 162537-11-3) is primarily used in pharmaceutical research to develop antiretroviral therapies. It serves as a prodrug or active metabolite in studies related to HIV treatment and is also utilized in drug metabolism analysis. Its applications extend to medicinal chemistry and clinical trials for evaluating protease inhibitor efficacy.

Is Atazanavir related compound A (CAS: 162537-11-3) safe?

Atazanavir related compound A (CAS: 162537-11-3) is generally considered safe when handled properly in controlled environments. Its toxicity profile is similar to atazanavir, with limited adverse effects reported in research studies. Safety precautions include wearing personal protective equipment (PPE) and following standard laboratory protocols to minimize exposure risks.

How should Atazanavir related compound A (CAS: 162537-11-3) be stored?

Atazanavir related compound A (CAS: 162537-11-3) should be stored in a cool, dry place, away from light and moisture. It is typically kept in airtight containers at temperatures below 25°C (77°F) to maintain stability. Avoid exposure to air and ensure proper ventilation to prevent degradation or contamination.