Ceritinib | CAS No. 1032900-25-6

Ceritinib

Basic Information

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CAS Number

1032900-25-6

Molecular Formula

C28H36ClN5O3S

Molecular Weight

558.15 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

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

720.7±70.0°C at 760 mmHg

Solubility

Insuluble (6.7E-5 g/L) (25 ºC),

SMILES

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CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl

InChI

InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)

InChIKey

VERWOWGGCGHDQE-UHFFFAOYSA-N

LogP

6.361920000000006

Topological Polar Surface Area

105.24 Å²

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

835

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H320 Causes eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

ceritinib
LDK378
Ceritinib(LDK378)
5-chloro-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
5-Chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine
LDK-378
LDK378 (LDK-378, Ceritinib)
5-chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine
5-chloro-N2-(2-isopropoxy-5-methyl-4-piperidin-4-ylphenyl)-N4-[2-(isopropylsulfonyl)phenyl]-pyrimidine-2,4-diamine
CS-1406
LDK378 Ceritinib
LKD378
QC-518
S7083,LDK 378
5-Chloro-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-N2-[5-methyl-2-(1-methylethoxy)-4-(4-piperidinyl)phenyl]-2,4-pyrimidinediamine
LDK37
Zykadia
Eritinib
Eritinib (LDK378)
Ceritinib
Ceritinib;5-Chloro-N2-[2-isopropoxy-5-Methyl-4-(4-piperidyl)phenyl]-N4-(2-isopropylsulfonylphenyl)pyriMidine-2,4-diaMine;Ceritinib
A852144
HY-15656
NSC-777193
CHEMBL2403108
Ceritinib (LDK378)
5-CHLORO-N4-(2-((1-METHYLETHYL)SULFONYL)PHENYL)-N2-(5-METHYL-2-(1-METHYLETHOXY)-4-(PIPERIDIN-4-YL)PHENYL)PYRIMIDINE-2,4-DIAMINE
5-chloro-N(2)-{5-methyl-4-(piperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N(4)-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine
GS-6356
LDK378 Certinib
NSC-776422

MDL Number

MFCD26142648

FAQ

What is Ceritinib (CAS: 1032900-25-6)?

Ceritinib is a chemical compound with the CAS number 1032900-25-6. It is a second-generation anaplastic lymphoma kinase (ALK) inhibitor used primarily in the treatment of non-small cell lung cancer (NSCLC). Ceritinib has the molecular formula C20H25N5O and exhibits good solubility in dimethyl sulfoxide (DMSO). It is known for its high potency and selectivity in targeting ALK mutations.

What are the main uses of Ceritinib (CAS: 1032900-25-6)?

Ceritinib is mainly used in pharmaceutical applications as a targeted therapy for patients with ALK-positive non-small cell lung cancer (NSCLC). It is also utilized in research settings to study ALK inhibition and its effects on cancer cell proliferation. Due to its specific mechanism of action, Ceritinib finds application in clinical trials and drug development for oncology.

Is Ceritinib (CAS: 1032900-25-6) safe?

Ceritinib is generally considered safe when used as directed in medical and research contexts. However, it may cause side effects such as gastrointestinal issues, liver toxicity, and elevated liver enzymes. Proper handling, including the use of gloves and goggles, is recommended to ensure safety. It should be stored in a controlled environment to maintain its stability and efficacy.

How should Ceritinib (CAS: 1032900-25-6) be stored?

Ceritinib should be stored in a cool, dry place away from direct light. It is typically kept at a temperature between 2°C to 8°C and in airtight containers to prevent moisture exposure. Proper storage conditions help maintain its chemical stability and prolong shelf life. Always follow safety guidelines when handling and storing this compound.