Dasatinib-d8 | CAS No. 1132093-70-9

Dasatinib-d8

Basic Information

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CAS Number

1132093-70-9

Molecular Formula

C22H18ClD8N7O2S

Molecular Weight

496.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Melting Point

272-274°C

SMILES

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OCCN1C([2H])([2H])C([2H])([2H])N(C(C1([2H])[2H])([2H])[2H])c1cc(nc(n1)C)Nc1ncc(s1)C(=O)Nc1c(C)cccc1Cl

InChI

InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)/i6D2,7D2,8D2,9D2

InChIKey

ZBNZXTGUTAYRHI-COMRDEPKSA-N

LogP

3.3135400000000006

Topological Polar Surface Area

106.50999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 9

Synonyms & References

English

[2H8]-Dasatinib
Dasatinib-d8
Dasatinib d8
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[2,2,3,3,5,5,6,6-octadeuterio-4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
Dasatinib-d
N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl-2,2,3,3,5,5,6,6-d8)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamide

MDL Number

MFCD15071210

FAQ

What regulatory guidelines apply to Dasatinib-d8 (CAS: 1132093-70-9)?

Dasatinib-d8 (CAS: 1132093-70-9) is regulated under GHS classification as a hazardous chemical. In the European Union, it is covered by REACH regulations, which require manufacturers to register substances above one tonne per year. FDA and EPA have specific guidelines for the import, production, and use of this compound in pharmaceuticals and research.

Are there alternatives to Dasatinib-d8 (CAS: 1132093-70-9) in synthesis?

Alternative reagents such as dasatinib-d4 and dasatinib-d6 are used as isotopically labeled analogs. Isomers like cis-dasatinib and trans-dasatinib may also be considered. Synthesizers often explore these options to achieve similar labeling or structural modifications.

What is the market or research trend for Dasatinib-d8 (CAS: 1132093-70-9)?

The market for Dasatinib-d8 (CAS: 1132093-70-9) is growing due to its use in pharmaceutical research, particularly in studying the metabolism and pharmacokinetics of dasatinib. Recent trends show an increase in demand for isotopically labeled compounds to enhance drug development and safety assessments.

How should waste containing Dasatinib-d8 (CAS: 1132093-70-9) be handled?

Waste containing Dasatinib-d8 (CAS: 1132093-70-9) should be collected in a sealed, leak-proof container and disposed of through a licensed hazardous waste management facility. Incineration is a common method, and environmental protection precautions must be followed to prevent contamination of soil and water.