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Crizotinib

CAS：877399-52-5
MW:450.34
MF：C21H22Cl2FN5O

Crizotinib, with the chemical formula C21H22Cl2FN5O and CAS registry number 877399-52-5, is a compound known for its applications in the treatment of certain types of cancer. This white to off-white powder, also referred to as Xalkori, is characterized by its chlorine, fluorine, and nitrogen functional groups. It is a tyrosine kinase inhibitor that targets specific proteins involved in the growth and spread of cancer cells. Crizotinib is primarily used to treat non-small cell lung cancer and certain types of advanced or metastatic ALK-positive or ROS1-positive cancers. It works by blocking the signals that promote the growth of cancer cells. Crizotinib is typically administered orally in the form of capsules or a liquid solution. Common side effects may include nausea, diarrhea, fatigue, and vision problems. It is important to consult with a healthcare professional for specific dosing instructions and potential drug interactions.

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Names and ldentifier
Properties
Use and Manufacturing
Msds
NMR Spectrum
Computational chemical data
Related Questions
Realated Product Infomation

1. Names and Identifiers

1.1 Name: Crizotinib

1.2 Synonyms: (R)-3-(1-(2,6-Dichloro-3-fluorophenyl)ethoxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine; (R)-3-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H- pyrazol-4-yl)pyridin-2-ylaMine; (R)-3-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-ylamine; (R)-Crizotinib; [3-[[(R)-1-(2,6-Dichloro-3-fluorophenyl)ethyl]oxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-yl]aMine; 2-PyridinaMine, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-; 2-Pyridinamine, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-, hydrochloride (1:2); 3-((R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine; 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine; 3-[(1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-2-pyridinamine; 3-[(1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-2-pyridinamine dihydrochloride; 3-[(1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-2-aMinopyridine; 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine; Crizotinib Xalkori; Crizotinib, Free Base; Crizotinib,PF-02341066; Crozotinib; PF 02341066; PF 2341066; PF2341066; PF-2341066; Xalkori;

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1.3 CAS No.: 877399-52-5

1.4 CID: 11626560

1.5 Molecular Formula: C21H22Cl2FN5O

1.6 Inchi: InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1

1.7 InChkey: KTEIFNKAUNYNJU-GFCCVEGCSA-N

1.8 Canonical Smiles: CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N

1.9 Isomers Smiles: C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N

2. Properties

2.1 Chemical Properties: White Solid

2.2 Color/Form: white to tan

2.3 pKa: 9.81±0.10(Predicted)

2.4 StorageTemp: room temp

3. Use and Manufacturing

3.1 Definition: ChEBI: A 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine that has R configuration at the chiral centre. The active enantiomer, it acts as a kinase inhibitor and is used for the treatment of patients wih locally advanced or metastatic non-small cell lung cancer (NSCLC)

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3.2 Description

Crizotinib, with the chemical formula C21H22Cl2FN5O, has the CAS number 877399-52-5. It is a small molecule inhibitor that targets specific receptor tyrosine kinases. Crizotinib appears as a white to off-white powder. It has no distinct odor. The molecular structure of Crizotinib consists of two chlorine atoms, one fluorine atom, one nitrogen atom, and one oxygen atom attached to a carbon atom. This compound is slightly soluble in water. Crizotinib is considered to be a hazardous substance and should be handled with caution. It may cause irritation to the skin, eyes, and respiratory system. Ingestion or inhalation of Crizotinib may lead to adverse health effects. It is important to follow proper safety protocols when working with this chemical.

Applicable Fields

Cancer Treatment: Crizotinib is primarily used in the field of oncology for the treatment of certain types of cancer. Its mechanism of action involves inhibiting specific receptor tyrosine kinases, such as ALK (anaplastic lymphoma kinase) and ROS1 (c-ros oncogene 1), which are known to play a role in the growth and progression of cancer cells. By targeting these kinases, Crizotinib helps to inhibit the signaling pathways that promote tumor growth and survival.

Storage

Conditions: Store in a cool and dry place.

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3.3 Usage: A potent and selective dual inhibitor of mesenchymal-epithelial transition factor (c-MET) kinase and anaplastic lymphoma kinase (ALK). A potential antitumor agent.

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

Eye irritation, Category 2

Germ cell mutagenicity, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H317 May cause an allergic skin reaction H319 Causes serious eye irritation H341 Suspected of causing genetic defects H400 Very toxic to aquatic life
Precautionary statement(s)
Prevention	P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace. P280 Wear protective gloves/protective clothing/eye protection/face protection. P264 Wash ... thoroughly after handling. P201 Obtain special instructions before use. P202 Do not handle until all safety precautions have been read and understood. P273 Avoid release to the environment.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P333+P313 If skin irritation or rash occurs: Get medical advice/attention. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P308+P313 IF exposed or concerned: Get medical advice/ attention. P391 Collect spillage.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

6. Computed Properties

Molecular Weight：450.34g/mol
Molecular Formula：C₂₁H₂₂Cl₂FN₅O
Compound Is Canonicalized：True
Exact Mass：3.7
XLogP3-AA：449.1185439
Monoisotopic Mass：449.1185439
Complexity：558
Rotatable Bond Count：5
Hydrogen Bond Donor Count：2
Hydrogen Bond Acceptor Count：6
Topological Polar Surface Area：78
Heavy Atom Count：：30
Defined Atom Stereocenter Count：1
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceB7oQAGAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAAAB8AAAHwIYAAAADD7hmi4/tpLIFACiAjJnZASSjCkx5SAY2KAvTpiOJuLF89uHvCjk2BPY6Cew0KIOgAAAAACBAAAAAAAAAQIAAAAAAAAAAA==

7. Toltal 224 Suppliers View more

Hebei Crovell Biotech Co. Ltd

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CANGZHOU ENKE PHARMA-TECH CO.,LTD

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Tianjin Furun Tongda International Trade Co., LTD

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Baoji Guokang Healthchem co.,ltd

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Purity 99% Crizotinib for Anti-Cancer CAS NO.877399-52-5

Hebei Yanxi Chemical Co.,Ltd

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8. Related Questions

: What are the key aspects of Crizotinib in the treatment of ALK+ NSCLC?General Description Crizotinib, an ATP competitive inhibitor of cMET, ALK, and ROS1 kinases, has shown significant clinical activity in treating ALK+ NSCLC. Initial trials demonstrated high objective ..; What are the clinical outcomes and recommended doses of crizotinib for ALK-positive myofibroblastic tumors?On July 14, 2022, the Food and Drug Administration approved crizotinib (Xalkori, Pfizer Inc.) for the treatment of unresectable, recurrent, or refractory inflammatory anaplastic lymphoma kinase (ALK)-..; Is Crizotinib the Most Widely Used Drug in the Pharmaceutical Industry? Crizotinib is an important anti-tumor drug widely used in clinical treatment. It has multiple mechanisms of action and can be used to treat various types of tumors. However, whether Crizotinib is the..; Can Crizotinib Provide a Breakthrough in Childhood Cancer Treatment?Gene EML4 is a common gene fusion in cancer, and changes in the ALK gene are called translocations. Childhood cancers with alterations in the alkaline gene ALK may benefit from the targeted drug Crizo..

9. Realated Product Infomation