4-[6-[[5-[[(2-Chloro-6-methylphenyl)amino]carbonyl]-2-thiazolyl]amino]-2-methyl-4-pyrimidinyl]-1-piperazineacetic Acid
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![4-[6-[[5-[[(2-Chloro-6-methylphenyl)amino]carbonyl]-2-thiazolyl]amino]-2-methyl-4-pyrimidinyl]-1-piperazineacetic Acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2787cd6c4e2b40c69ba235ba0c85adb8.png "4-[6-[[5-[[(2-Chloro-6-methylphenyl)amino]carbonyl]-2-thiazolyl]amino]-2-methyl-4-pyrimidinyl]-1-piperazineacetic Acid")
4-[6-[[5-[[(2-Chloro-6-methylphenyl)amino]carbonyl]-2-thiazolyl]amino]-2-methyl-4-pyrimidinyl]-1-piperazineacetic Acid
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CAS No:
910297-53-9
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Formula:
C22H24ClN7O3S
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Chemical Name:
4-[6-[[5-[[(2-Chloro-6-methylphenyl)amino]carbonyl]-2-thiazolyl]amino]-2-methyl-4-pyrimidinyl]-1-piperazineacetic Acid
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Synonyms:
Dasatinib Carboxylic Acid;UNII-83FL89EU88;83FL89EU88;4-[6-[[5-[[(2-CHLORO-6-METHYLPHENYL)AMINO]CARBONYL]-THIAZOL-2-YL]AMINO]-2-METHYL-PYRIMIDIN-4-YL]-1-PIPERAZINEACETIC ACID;Dasatinib metabolite M6;SCHEMBL1704971;CTK5G8814;DTXSID10474430;ZINC22055422;AKOS030255279
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CAS No:
4-[6-[[5-[[(2-Chloro-6-methylphenyl)amino]carbonyl]-2-thiazolyl]amino]-2-methyl-4-pyrimidinyl]-1-piperazineacetic Acid Basic Attributes
501.99
501.13500
83FL89EU88
DTXSID10474430
29349990
4-[6-[[5-[[(2-Chloro-6-methylphenyl)amino]carbonyl]-2-thiazolyl]amino]-2-methyl-4-pyrimidinyl]-1-piperazineacetic Acid Use and Manufacturing
An oxidative metabolite of Dasatinib (M6 metabolite); used in the treatment of cancers and immune diseases.
Computed Properties
Molecular Weight:502.0
XLogP3:1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:501.1349865
Monoisotopic Mass:501.1349865
Topological Polar Surface Area:152
Heavy Atom Count:34
Complexity:714
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-[6-[[5-[[(2-Chloro-6-methylphenyl)amino]carbonyl]-2-thiazolyl]amino]-2-methyl-4-pyrimidinyl]-1-piperazineacetic Acid
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