4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl (2R)-2,4-dimethyl-1-piperazinecarboxylate

Basic Information

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CAS Number

1626387-80-1

Molecular Formula

C22H23ClFN5O3

Molecular Weight

459.91 g/mol

EINECS

1592732-453-0

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

Boiling Point

571.4±50.0 °C(Predicted)

Density

1.358±0.06 g/cm3(Predicted)

Solubility

≥23 mg/mL in DMSO; insoluble in H2O; ≥8.32 mg/mL in EtOH with ultrasonic

SMILES

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C[C@@H]1CN(CCN1C(=O)Oc2cc3c(cc2OC)ncnc3Nc4cccc(c4F)Cl)C

InChI

InChI=1S/C22H23ClFN5O3/c1-13-11-28(2)7-8-29(13)22(30)32-19-9-14-17(10-18(19)31-3)25-12-26-21(14)27-16-6-4-5-15(23)20(16)24/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,25,26,27)/t13-/m1/s1

InChIKey

MXDSJQHFFDGFDK-CYBMUJFWSA-N

LogP

4.309200000000003

pKa

6.71±0.40(Predicted)

Topological Polar Surface Area

79.82000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 8

Complexity

649

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

AZD 3759
AZD3759
AZD-3759
(2R)-2,4-Dimethyl-1-piperazinecarboxylic acid 4-[(3-chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl ester
HY-18750
azd3579
1-Piperazinecarboxylic acid, 2,4-dimethyl-, 4-[(3-chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl ester, (2R)-
1-PIPERAZINECARBOXYLIC ACID, 2,4-DIMETHYL-, 4-[(3-CHLORO-2-FLUOROPHENYL)AMINO]-7-METHOXY-6-QUINAZOLINYL ESTER
AZD3759、9291
67SX9H68W2
(R)-4-((3-chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl 2,4-dimethylpiperazine-1-carboxylate
zorifertinib (proposed INN)
GTPL10456
BDBM50123453
s7971
SB19231
compound 1m [PMID: 26313252]
(R)-4-(3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yl 2,4-dimethylpiperazine-1-carboxyl
4-[(3-CHLORO-2-FLUOROPHENYL)AMINO]-7-METHOXYQUINAZOLIN-6-YL (2R)-2,4-DIMETHYLPIPERAZINE-1-CARBOXYLATE
zorifertinib
4-((3-Chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl (2R)-2,4-dimethylpiperazine-1-carboxylate
DB14795
CID 78209992
Zorifertinib

MDL Number

MFCD29058564

EC Number

1592732-453-0

FAQ

What is 4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl (2R)-2,4-dimethyl-1-piperazinecarboxylate (CAS: 1626387-80-1)?

4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl (2R)-2,4-dimethyl-1-piperazinecarboxylate is a complex organic compound with a unique structure. It contains quinazoline and piperazine moieties. The compound is characterized by its chemical formula and exhibits certain physical properties typical of organic molecules.

What are the main uses of 4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl (2R)-2,4-dimethyl-1-piperazinecarboxylate (CAS: 1626387-80-1)?

This compound is primarily used in pharmaceuticals for its potential anti-inflammatory and anti-proliferative properties. It also shows promise in research for developing new therapeutic agents.

Is 4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl (2R)-2,4-dimethyl-1-piperazinecarboxylate (CAS: 1626387-80-1) safe?

The compound is relatively safe under normal handling conditions. However, it is important to follow standard safety protocols, including wearing appropriate personal protective equipment. Toxicity data are limited, but the compound should be handled with care to avoid exposure through inhalation, ingestion, or skin contact.

How should 4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl (2R)-2,4-dimethyl-1-piperazinecarboxylate (CAS: 1626387-80-1) be stored?

Store the compound in a cool, dry place, away from direct sunlight and moisture. Keep it in a tightly sealed container to maintain stability. Ensure proper ventilation in the storage area and follow all safety guidelines to prevent accidents.