Abemaciclib mesylate

Basic Information

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CAS Number

1231930-82-7

Molecular Formula

C28H36F2N8O3S

Molecular Weight

602.71 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F.CS(=O)(=O)O

InChI

InChI=1S/C27H32F2N8.CH4O3S/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26;1-5(2,3)4/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34);1H3,(H,2,3,4)

InChIKey

NCJPFQPEVDHJAZ-UHFFFAOYSA-N

LogP

4.440920000000003

Topological Polar Surface Area

129.36999999999998 Å²

Hydrogen Bond Donor/Acceptor

2 / 11

Complexity

815

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

N-[5-[(4-Ethyl-1-piperazinyl)methyl]-2-pyridinyl]-5-fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl]-2-pyrimidinamine Methanesulfonate
LY2835219
abemaciclib (LY2835219)
Bemaciclib
N-(5-((4-Ethylpiperazin-1-yl)methyl)pyridin-2-yl)-5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-amine methanesulfonate
N-[5-[(4-Ethyl-1-piperazinyl)methyl]-2-pyridinyl]-5-fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl]...
N-[5-[(4-Ethyl-1-piperazinyl)methyl]-2-pyridinyl]-5-fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl]-2-pyr
N-[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine,methanesulfonic acid
6 dual inhibitor
ABEMACICLIB
CDK4
CS-1229
LY-2835219
QCR-274
Bemaciclib(salt)
Abemaciclib methanesulfonate
N-(5-((4-ethylpiperazin-1-yl)methyl)pyridin-2-yl)-5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-amine
methanesulfonate (1:1)
CCG-264735
Methanesulfonic acid--N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]pyrimidin-2-amine (1/1)
KKT462Q807
N-[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;methanesulfonic acid
LY2835219(Abemaciclib)
C28H36F2N8O3S
2-Pyrimidinamine, N-(5-((4-ethyl-1-piperazinyl)methyl)-2-pyridinyl)-5-fluoro-4-(4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl)-, methanesulfonate (1:1)
2-Pyrimidinamine, N-[5-[(4-ethyl-1-piperazinyl)methyl]-2-pyridinyl]-5-fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl]-, methanesulfonate (1:1)
UNII-KKT462Q807
DTXSID90856159
abemaciclib mesylate (LY2835219)
HMS3653K13
SB16477

MDL Number

MFCD25562906

FAQ

What is Abemaciclib mesylate (CAS: 1231930-82-7)?

Abemaciclib mesylate is a chemotherapy agent used in the treatment of breast cancer. It is a selective cyclin-dependent kinase 4/6 (CDK4/6) inhibitor with the chemical formula C29H27N7O5S. It is commonly used in combination with endocrine therapy in patients with estrogen receptor (ER)-positive, human epidermal growth factor receptor 2 (HER2)-negative advanced or metastatic breast cancer, particularly in those who have previously received endocrine therapy.

What are the main uses of Abemaciclib mesylate (CAS: 1231930-82-7)?

Abemaciclib mesylate is primarily used in the treatment of breast cancer. Specifically, it is used in combination with endocrine therapy to treat advanced or metastatic breast cancer in patients with estrogen receptor (ER)-positive and human epidermal growth factor receptor 2 (HER2)-negative tumors, especially those who have previously received endocrine therapy.

Is Abemaciclib mesylate (CAS: 1231930-82-7) safe?

Abemaciclib mesylate is generally considered safe when used as directed. However, it can cause side effects such as diarrhea, neutropenia, and fatigue. Patients should follow their healthcare provider's instructions and report any adverse reactions promptly. Appropriate precautionary measures, including regular blood monitoring, should be taken to ensure patient safety.

How should Abemaciclib mesylate (CAS: 1231930-82-7) be stored?

Abemaciclib mesylate should be stored at room temperature (15-30°C) and protected from light. It should be kept in a tightly sealed container to prevent moisture and light exposure. Storage conditions should be monitored to ensure stability and effectiveness of the drug. Avoiding extremes of temperature and humidity is crucial to maintain the integrity of the compound.