Alpelisib | CAS No. 1217486-61-7

Alpelisib

Basic Information

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CAS Number

1217486-61-7

Molecular Formula

C19H22F3N5O2S

Molecular Weight

441.48 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

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

SMILES

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Cc1nc(NC(=O)N2CCC[C@H]2C(=O)N)sc1c3ccnc(c3)C(C)(C)C(F)(F)F

InChI

InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1

InChIKey

STUWGJZDJHPWGZ-LBPRGKRZSA-N

LogP

3.835020000000002

Topological Polar Surface Area

101.21000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

663

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

(S)-N1-(4-Methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl)thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
BYL719
(2S)-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
(2S)-N1-[4-Methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]-1,2-pyrrolidinedicarboxamide
(S)-N1-(4-Methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)-pyridin-4-yl)thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
Alpelisib (BYL719)
Alpelisib（BYL-719）
BLY719
BYL-719
(S)-pyrrolidine-1,2-dicarboxylic acid 2-amide 1-{4-methyl-5-[2-(2,2,2-trifluoro-1,1-dimethyl-ethyl)-pyridin-4-yl]-thiazol-2-yl}amide
Alpelisib
NVPBYL-719
NVP-BYL-719
QCR-1
BYL 719
08W5N2C97Q
C19H22F3N5O2S
1,2-Pyrrolidinedicarboxamide, N1-(4-methyl-5-(2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl)-2-thiazolyl)-, (2S)-
(S)-N1-(4-Methyl-5-(2-

MDL Number

MFCD22417085

FAQ

What regulatory guidelines apply to Alpelisib (CAS: 1217486-61-7)?

Alpelisib (CAS: 1217486-61-7) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for its physical and health hazards. In the European Union, it falls under REACH regulations. For FDA/EPA compliance, it is important to adhere to the specific guidelines for pharmaceuticals and chemical substances, including proper labeling, storage, and handling to prevent environmental contamination.

Are there alternatives to Alpelisib (CAS: 1217486-61-7) in synthesis?

Alternative reagents to Alpelisib (CAS: 1217486-61-7) in synthesis include similar phosphoinositide 3-kinase inhibitors such as copanlisib and pictilisib. These compounds can be used as analogs in various synthetic pathways, offering similar pharmacological effects but with different chemical structures.

What is the market or research trend for Alpelisib (CAS: 1217486-61-7)?

Alpelisib (CAS: 1217486-61-7) has a growing market trend, particularly in oncology due to its role as a selective phosphoinositide 3-kinase (PI3K) inhibitor. Research is expanding into new clinical trials and studies, focusing on its efficacy in treating certain types of breast and ovarian cancer. Market trends indicate increasing demand as more therapeutic applications are explored.

How should waste containing Alpelisib (CAS: 1217486-61-7) be handled?

Waste containing Alpelisib (CAS: 1217486-61-7) should be collected in appropriate containers, labeled, and stored in a secure area to prevent environmental contamination. Proper disposal methods include incineration or professional waste disposal services that comply with local regulations. Environmental precautions include monitoring for any leakage and ensuring all waste is treated before disposal to minimize ecological impact.