3-(6-methylpyridin-2-yl)-N-phenyl-4-(quinolin-4-yl)-1H-pyrazole-1-carbothioamide

Basic Information

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CAS Number

909910-43-6

Molecular Formula

C25H19N5S

Molecular Weight

421.53 g/mol

Chemical Classification

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

Melting Point

111℃

Boiling Point

590°C at 760 mmHg

Density

1.27

Flash Point

310.6°C

Solubility

DMSO: soluble5mg/mL, clear (warmed)

Refractive Index

1.706

SMILES

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CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5

InChI

InChI=1S/C25H19N5S/c1-17-8-7-13-23(27-17)24-21(19-14-15-26-22-12-6-5-11-20(19)22)16-30(29-24)25(31)28-18-9-3-2-4-10-18/h2-16H,1H3,(H,28,31)

InChIKey

HIJMSZGHKQPPJS-UHFFFAOYSA-N

LogP

5.713820000000004

Topological Polar Surface Area

55.63 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

609

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

1H-Pyrazole-1-carbothioamide,3-(6-methyl-2-pyridinyl)-N-phenyl-4-(4-quinolinyl)-
A-83-01
A 83-01
3-(6-METHYL-2-PYRIDINYL)-N-PHENYL-4-(4-QUINOLINYL)-1H-PYRAZOLE-1-CARBOTHIOAMIDE
3-(6-methylpyridin-2-yl)-N-phenyl-4-quinolin-4-ylpyrazole-1-carbothioamide
A 8301
A83-01 (A-83-01)
ALK5 Inhibitor IV
A83-01
3-(6-Methyl-2-pyridinyl)-N-phenyl-4-(4-quinolinyl)-1H-pyrazole-1-carbothioamide (ACI)
3-(6-Methylpyridin-2-yl)-4-(4-quinolyl)-1-phenylthiocarbamoyl-1H-pyrazole
A 8-301
A 83-1
TGF-β RI Kinase Inhibitor IV
BA162484
Q26998219
X3ZNM7QJ2Q
NCGC00165721-02
3-(6-methylpyridin-2-yl)-N-phenyl-4-(quinolin-4-yl)-1H-pyrazole-1-carbothioamide
HB3218
CHEMBL1170377
DA-35362
A 83-01 is known as an ALK5, ALK4, and ALK7 inhibitor.
909910-43-6
A83-01?
s7692
C25H19N5S
A3324
A8301
A 83-01 (GMP)
HY-10432G

MDL Number

MFCD08705403

FAQ

What regulatory guidelines apply to 3-(6-methylpyridin-2-yl)-N-phenyl-4-(quinolin-4-yl)-1H-pyrazole-1-carbothioamide (CAS: 909910-43-6)?

This compound is subject to GHS classification, REACH regulations, and FDA/EPA requirements. It should be handled in compliance with the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), which includes specific hazard communication and label elements. REACH regulations require safety data sheets (SDS) and classification according to the substance's characteristics. Additionally, FDA and EPA may have specific guidelines for its use, storage, and disposal to ensure environmental and occupational safety.

Are there alternatives to 3-(6-methylpyridin-2-yl)-N-phenyl-4-(quinolin-4-yl)-1H-pyrazole-1-carbothioamide (CAS: 909910-43-6) in synthesis?

There are alternative reagents and synthetic approaches that can be used, such as analogs like 3-(6-ethylpyridin-2-yl)-N-phenyl-4-(quinolin-4-yl)-1H-pyrazole-1-carbothioamide or isomers. These alternatives can offer similar or improved properties and may be easier to synthesize or handle. Common substitute solutions include using different functional groups or modifying the chemical structure to achieve the desired properties while maintaining the overall framework of the compound.

What is the market or research trend for 3-(6-methylpyridin-2-yl)-N-phenyl-4-(quinolin-4-yl)-1H-pyrazole-1-carbothioamide (CAS: 909910-43-6)?

The market and research trends for this compound are focused on its potential applications in pharmaceuticals and agriculture. Recent studies suggest its use as an antimicrobial and antitumor agent. Research is also exploring its role as a potential analgesic and anti-inflammatory compound. Price trends indicate a steady demand, driven by growing interest in its therapeutic applications. Emerging research fields include optimization of its synthesis, formulation, and bioavailability to enhance its efficacy and reduce side effects.

How should waste containing 3-(6-methylpyridin-2-yl)-N-phenyl-4-(quinolin-4-yl)-1H-pyrazole-1-carbothioamide (CAS: 909910-43-6) be handled?

Waste containing this compound should be managed according to the waste disposal regulations and guidelines applicable in the region. It is important to collect the waste in appropriate containers and ensure proper labeling. For disposal, incineration or professional waste disposal services should be utilized. Environmental protection precautions include ensuring that the waste does not contaminate soil or water sources during collection and disposal. It is recommended to consult local authorities and follow hazardous waste management practices to minimize environmental impact.