N-{4-[(1S)-1-{3,5-Dimethyl-4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]phenoxy}butyl]benzoyl}-beta-alanine

Basic Information

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CAS Number

1393124-08-7

Molecular Formula

C26H28F3N3O4

Molecular Weight

503.52 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 (2.7E-3 g/L) (25 ºC),

SMILES

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CCC[C@@H](c1ccc(cc1)C(=O)NCCC(=O)O)Oc1cc(C)c(c(c1)C)n1ncc(c1)C(F)(F)F

InChI

InChI=1S/C26H28F3N3O4/c1-4-5-22(18-6-8-19(9-7-18)25(35)30-11-10-23(33)34)36-21-12-16(2)24(17(3)13-21)32-15-20(14-31-32)26(27,28)29/h6-9,12-15,22H,4-5,10-11H2,1-3H3,(H,30,35)(H,33,34)/t22-/m0/s1

InChIKey

IBDYYOQKQCCSDP-QFIPXVFZSA-N

LogP

5.632640000000006

Topological Polar Surface Area

93.45 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

718

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

glucagon receptor antagonists-4
N-[4-[(1S)-1-[3,5-Dimethyl-4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]phenoxy]butyl]benzoyl]--alanine
PF-06291874
CGY4I8F278
(S)-3-(4-(1-(3,5-dimethyl-4-(4-(trifluoromethyl)-1H-pyrazol-1-yl)phenoxy)butyl)benzamido)propanoic acid
BDBM50433577
DB15065
PF06291874; Glucagon receptor antagonists-4
3-[[4-[(1S)-1-[3,5-dimethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]phenoxy]butyl]benzoyl]amino]propanoic acid
beta-Alanine, N-(4-((1S

MDL Number

MFCD30343861

FAQ

What is N-{4-[(1S)-1-{3,5-Dimethyl-4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]phenoxy}butyl]benzoyl}-beta-alanine (CAS: 1393124-08-7)?

N-{4-[(1S)-1-{3,5-Dimethyl-4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]phenoxy}butyl]benzoyl}-beta-alanine (CAS: 1393124-08-7) is a complex organic compound with a beta-alanine derivative linked to a benzoyl group. It is characterized by its unique chemical structure incorporating a trifluoromethyl group and a pyrazole moiety.

What are the main uses of N-{4-[(1S)-1-{3,5-Dimethyl-4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]phenoxy}butyl]benzoyl}-beta-alanine (CAS: 1393124-08-7)?

N-{4-[(1S)-1-{3,5-Dimethyl-4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]phenoxy}butyl]benzoyl}-beta-alanine (CAS: 1393124-08-7) is primarily used in pharmaceutical research and development, particularly in the synthesis of novel compounds for potential drug candidates. It may also have applications in chemical manufacturing and other specialized industries.

Is N-{4-[(1S)-1-{3,5-Dimethyl-4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]phenoxy}butyl]benzoyl}-beta-alanine (CAS: 1393124-08-7) safe?

N-{4-[(1S)-1-{3,5-Dimethyl-4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]phenoxy}butyl]benzoyl}-beta-alanine (CAS: 1393124-08-7) is generally considered safe when handled with appropriate precautions. However, it is important to follow safety guidelines, including the use of personal protective equipment and proper storage conditions to minimize exposure and risks.

How should N-{4-[(1S)-1-{3,5-Dimethyl-4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]phenoxy}butyl]benzoyl}-beta-alanine (CAS: 1393124-08-7) be stored?

N-{4-[(1S)-1-{3,5-Dimethyl-4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]phenoxy}butyl]benzoyl}-beta-alanine (CAS: 1393124-08-7) should be stored at a temperature below 25°C in a dry, well-ventilated area away from direct sunlight and moisture. It should be kept in a tightly sealed container to prevent degradation and contamination.

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

Compound Q&A

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Compound Q&A

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Compound Q&A

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NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

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Compound Q&A

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Compound Q&A

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Compound Q&A

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N-{4-[(1S)-1-{3,5-Dimethyl-4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]phenoxy}butyl]benzoyl}-beta-alanine | CAS No. 1393124-08-7

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Solubility

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 N-{4-[(1S)-1-{3,5-Dimethyl-4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]phenoxy}butyl]benzoyl}-beta-alanine (CAS: 1393124-08-7)?

What are the main uses of N-{4-[(1S)-1-{3,5-Dimethyl-4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]phenoxy}butyl]benzoyl}-beta-alanine (CAS: 1393124-08-7)?

Is N-{4-[(1S)-1-{3,5-Dimethyl-4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]phenoxy}butyl]benzoyl}-beta-alanine (CAS: 1393124-08-7) safe?

How should N-{4-[(1S)-1-{3,5-Dimethyl-4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]phenoxy}butyl]benzoyl}-beta-alanine (CAS: 1393124-08-7) be stored?

Related Compounds

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