2-Ethoxy-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid

Basic Information

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CAS Number

135062-02-1

Molecular Formula

C27H36N2O4

Molecular Weight

452.6 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

Physical State

Powder

Melting Point

131.0 to 135.0 deg-C

Boiling Point

672.9°C at 760 mmHg

Density

1.1±0.1 g/cm3

Flash Point

360.8±31.5 °C

Solubility

DMSO: 34 mg/mL

Refractive Index

1.567

Vapor Pressure

0.0±2.2 mmHg at 25°C

Specific Rotation

D20 +6.97° (c = 0.975 in methanol); D20 +7.45° (c = 1.06 in methanol)

SMILES

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CCOc1cc(ccc1C(=O)O)CC(=O)N[C@H](c1ccccc1N1CCCCC1)CC(C)C

InChI

InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1

InChIKey

FAEKWTJYAYMJKF-QHCPKHFHSA-N

LogP

5.219900000000005

Topological Polar Surface Area

78.86999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

619

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

H362 May cause harm to breast-fed children
Reproductive toxicity, effects on or via lactation

Toxicity

LD50 orally in rats: >1 g/kg (Grell)

Synonyms & References

English

(S)-2-Ethoxy-4-(2-((3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoic acid
4-Ethoxycarbonyl-3-ethoxy phenyl acetic acid
AG-EE 623ZW
Repaglinide
2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid
2-Ethoxy-4-[2-[[(1S)-3-Methyl-1-[2-(1-Piperidinyl)Phenyl]Butyl]Amino]-2-Oxoethyl]Benzoic Acid
Prandin,GlucoNorm,NovoNorm
(S)-(+)-2-Ethoxy-4-[N-[1-(2-piperidinophenyl)-3-methyl-1-butyl]aminocarbonylmethyl]benzoic acid
Novonorm
Prandin
GlucoNorm
Repaglinidum
Repaglinida
Repaglinidum [INN-Latin]
Repaglinida [INN-Spanish]
C27H36N2O4
668Z8C33LU
2-Ethoxy-4-[2-[[(1S)-3-Methyl-1-[2-(1-Piperidinyl)Phenyl]Buty

MDL Number

MFCD00906179

Customs Code

2933399090

FAQ

What is 2-Ethoxy-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid (CAS: 135062-02-1)?

2-Ethoxy-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid (CAS: 135062-02-1) is a complex organic compound characterized by its benzoic acid backbone and multiple functional groups, including an ethoxy group and a piperidinyl-containing side chain. It is typically used in specialized chemical applications due to its structural complexity and potential reactivity.

What are the main uses of 2-Ethoxy-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid (CAS: 135062-02-1)?

This compound is primarily used in pharmaceutical research for the development of drug molecules, particularly in the context of medicinal chemistry. It may also find applications in industrial chemical synthesis and as a research reagent for studying molecular interactions and biological activity.

Is 2-Ethoxy-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid (CAS: 135062-02-1) safe?

The safety of 2-Ethoxy-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid (CAS: 135062-02-1) depends on its handling and application. It should be treated with standard chemical safety precautions, including proper ventilation and protective equipment. Limited toxicity data is available, so it is advisable to follow safety guidelines provided by regulatory bodies and manufacturers.

How should 2-Ethoxy-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid (CAS: 135062-02-1) be stored?

This compound should be stored in a cool, dry, and dark place, preferably at temperatures below 25°C. It is important to keep it in a sealed container to prevent moisture and air exposure. Storage in a well-ventilated area is recommended to ensure stability and maintain its chemical integrity over time.