Abemaciclib
Also known as Verzenio, Verzenios, 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
Key facts
What buyers check first
- CAS number
- 1231929-97-7
- Formula
- C27H32F2N8
- Molar mass
- 506.61 g/mol
- EC number
- 806-670-8
- HS code
- 293359
- Category
- Pharmaceuticals and APIs
What is Abemaciclib?
Plain description, key identifiers and synonyms
Abemaciclib is a cell cycle inhibitor selective for CDK4/6 with IC50 of 2 nM and 10 nM in cell-free assays, respectively.
Abemaciclib is CDK inhibitor.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
- CAS number
- 1231929-97-7 CAS number cross-checked
- EC number
- 806-670-8
- Molecular formula
- C27H32F2N8
- UNII
- 60UAB198HK
- MDL number
- MFCD22665744
- InChIKey
- UZWDCWONPYILKI-UHFFFAOYSA-N
- InChI
- InChI=1S/C27H32F2N8/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/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
- SMILES (canonical and isomeric)
- 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
Synonyms
- Verzenio
- Verzenios
- 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
- 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
- LY 2835219
- 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)
- 5-(4-ethylpiperazin-1-ylmethyl)pyridin-2-yl)-(5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl)amine
- 5-(4-ethylpiperazin-1-ylmethyl)pyridin-2-yl)-(5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzoimidazol-5-yl)pyrimidin-2-yl)amine
- N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-1,3-benzodiazol-6-yl]pyrimidin-2-amine
- abemaciclibum
- 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
- N-(5-((4-ethylpiperazin-1-yl)methyl)pyridin-2-yl)-5-fluoro-4-(4-fluoro-2-methyl-1-(propan-2-yl)-1H-1,3-benzodiazol-6-yl)pyrimidin-2-amine
- 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
- LY2835219 free base
- Abemaciclib (ly2835219)
- 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]-
- 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
- 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
- Abemaciclib,LY2835219
- rimidin-2-amine
- Verzenio (TN)
- 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]py rimidin-2-amine
- Abemaciclib (Standard)
- CDK4/6 dual inhibitor
- Abemaciclib (JAN/USAN/INN)
Show all 27 synonymsShow fewer synonyms
- LY2835219 free base (Abemaciclib)
- ly-28352192-Pyrimidinamine
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 506.61 g/molcalc.Computed value |
|---|---|
| Exact mass | 506.2718 Dacalc.Computed value |
| LogP (octanol/water) | 4.94calc.Computed value |
| Topological polar surface area | 75 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 7calc.Computed value |
| Rotatable bonds | 7calc.Computed value |
| Heavy atoms | 37calc.Computed value |
| Rings | 5calc.Computed value |
| Aromatic rings | 4calc.Computed value |
| Fraction sp3 carbons | 0.41calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (1 violation)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
c1cc(-c2ccc3nc[nH]c3c2)nc(Nc2ccc(CN3CCNCC3)cn2)n1
5 rings, 29 atoms.
10 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H360May damage fertility or the unborn child.
- H361fdSuspected of damaging fertility. Suspected of damaging the unborn child.
- H373May cause damage to organs through prolonged or repeated exposure.
- H400Very toxic to aquatic life.
- H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (9)
- P203Obtain, read and follow all safety instructions before use.
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P273Avoid release to the environment.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P318If exposed or concerned, get medical advice.
- P319Get medical help if you feel unwell.
- P391Collect spillage.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidAbemaciclib suppliers
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- India, Ratlam ManufacturerUnclaimed profileAbemaciclibGrade, purity and minimum order on requestPrice on request
- ChinaUnclaimed profileAbemaciclibGrade, purity and minimum order on requestPrice on request
- China, BeijingUnclaimed profileAbemaciclibGrade, purity and minimum order on requestPrice on request
- India ManufacturerUnclaimed profileAbemaciclibGrade, purity and minimum order on requestPrice on request
- China, Taizhou ManufacturerUnclaimed profileAbemaciclibGrade, purity and minimum order on requestPrice on request
- India, Pune ManufacturerUnclaimed profileAbemaciclibGrade, purity and minimum order on requestPrice on request
- China, Linyi ManufacturerUnclaimed profileAbemaciclibGrade, purity and minimum order on requestPrice on request
- Price on request
- Price on request
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Where suppliers are based
119 suppliers in 19 countries
- China47
- United States32
- India10
- United Kingdom5
- Germany3
- Spain2
- and 13 more countries
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Abemaciclib price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Roles
- antineoplastic agent
- pharmaceutical
Pharmacology
Abemaciclib is a Kinase Inhibitor. The mechanism of action of abemaciclib is as a Kinase Inhibitor.
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- Active ingredient in FDA approved drug labels
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Abemaciclib is traded under.
Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other
- Ireland43.6%
- Switzerland * partner reported26.3%
- China7.9%
- Slovenia30.3%
- United States30.1%
- Germany15.3%
* Partner reported figures, a lower bound.
The HS code shown for Abemaciclib is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Abemaciclib, based on the data on this page
What is Abemaciclib?
What is the CAS number of Abemaciclib?
What is the molecular formula and weight of Abemaciclib?
What is Abemaciclib used for?
Is Abemaciclib hazardous?
What is the HS code of Abemaciclib?
Where can I buy Abemaciclib?
Where can I buy Abemaciclib in India?
What is the price of Abemaciclib?
Guides for buyers
Practical guides that help when you source, ship or handle Abemaciclib
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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