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Screening compounds

Dinaciclib

Also known as SCH 727965, 2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol, 2-Piperidineethanol, 1-(3-ethyl-7-(((1-oxido-3-pyridinyl)methyl)amino)pyrazolo(1,5-a)pyrimidin-5-yl)-, (2S)-

CAS 779353-01-4Formula C21H28N6O2Molar mass 396.50 g/molEC 814-152-8
GHS signal word: Danger. Pictograms: Harmful or irritant, Serious health hazard 13 suppliers listed
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Dinaciclib chemical structure, C21H28N6O2, CAS 779353-01-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
779353-01-4
Formula
C21H28N6O2
Molar mass
396.50 g/mol
EC number
814-152-8
HS code
293359
Category
Screening compounds

What is Dinaciclib?

Plain description, key identifiers and synonyms

Dinaciclib is a pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine substituted by ethyl, (2S)-2-(2-hydroxyethyl)piperidin-1-yl, and [(1-oxidopyridin-3-yl)methyl]amino groups at positions 3, 5, and 7, respectively. It is a potent pan-cyclin dependent kinase inhibitor that exhibits antineoplastic activity. It has a role as an antineoplastic agent, an apoptosis inducer and an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. It is a primary alcohol, a member of piperidines, a member of pyridine N-oxides, a pyrazolopyrimidine, a secondary amino compound and a tertiary amino compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
CAS number
779353-01-4 CAS number cross-checked
EC number
814-152-8
Molecular formula
C21H28N6O2
UNII
4V8ECV0NBQ
MDL number
MFCD16037702
InChIKey
PIMQWRZWLQKKBJ-SFHVURJKSA-N
InChI
InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
Canonical SMILES
CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12
Isomeric SMILES
CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])N4CCCC[C@H]4CCO

Synonyms

  • SCH 727965
  • 2-[(2S)-1-[3-ethyl-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol
  • 2-Piperidineethanol, 1-(3-ethyl-7-(((1-oxido-3-pyridinyl)methyl)amino)pyrazolo(1,5-a)pyrimidin-5-yl)-, (2S)-
  • 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]pyridin-1-ium-1-olate
  • dinaciclibum
  • 2-((2S)-1-(3-ethyl-7-((1-oxidopyridin-1-ium-3-yl)methylamino)pyrazolo(1,5-a)pyrimidin-5-yl)piperidin-2-yl)ethanol
  • 2-Piperidineethanol, 1-[3-ethyl-7-[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-, (2S)-
  • 3-(((3-ethyl-5-((2S)-2-(2-hydroxyethyl)piperidin-1-yl)pyrazolo(1,5-a)pyrimidin-7-yl)amino)methyl)pyridin-1-ium-1-olate
  • CDK Inhibitor SCH 727965
  • Dinaciclib (SCH727965)
  • (2S)-1-[3-Ethyl-7-[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2-piperidineethanol
  • (S)-3-(((3-ethyl-5-(2-(2-hydroxyethyl)piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl)amino)methyl)pyridine 1-oxide
  • 1-[3-Ethyl-7[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2(s)-piperidineethanol
  • Dinaciclib (USAN/INN)
  • Dinaciclib (SCH727965)?
  • Sdccgsbi-0654457.p001
  • 1-[3-ethyl-7-[[(1-oxido-3-pyridinyl)methyl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]-2S-piperidineethanol
  • SCH 727965,SCH727965, Dinaciclib
  • (S)-3-((3-ethyl-5-(2-(2-hydroxyethyl)piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide
  • (S)-3-[[[3-Ethyl-5-[2-(2-hydroxyethyl)-1-piperidyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridine 1-Oxide
  • 2-Piperidineethanol, 1-(3-ethyl-7-(((1-oxido-3-pyridinyl)methyl)amino)pyrazolo(1,5- a)pyrimidin-5-yl)-, (2S)-
  • 3-[[[3-Ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridine 1-oxide

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
396.50 g/molcalc.
Exact mass
396.2274 Dacalc.
LogP (octanol/water)
2.28calc.
Topological polar surface area
92.63 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.48calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1cncc(CNc2cc(N3CCCCC3)nc3ccnn23)c1

c1cncc(CNc2cc(N3CCCCC3)nc3ccnn23)c1

4 rings, 23 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H340May cause genetic defects.
  • H372Causes damage to organs through prolonged or repeated exposure.
Precautionary statements (16)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • 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 aid

Dinaciclib suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 13 suppliers
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Where suppliers are based

13 suppliers in 3 countries

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Dinaciclib 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
  • apoptosis inducer
  • enzyme inhibitor
  • pharmaceutical
  • protein kinase inhibitor

Pharmacology

Dinaciclib is a pyrazolo[1,5-a]pyrimidine with potential antineoplastic activity. Dinaciclib selectively inhibits cyclin dependent kinases CDK1, CDK2, CDK5, and CDK9, inhibition of CDK1 and CDK2 may result in cell cycle repression and tumor cell apoptosis.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Dinaciclib is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Dinaciclib is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Dinaciclib, based on the data on this page

What is Dinaciclib?

Dinaciclib is a pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine substituted by ethyl, (2S)-2-(2-hydroxyethyl)piperidin-1-yl, and [(1-oxidopyridin-3-yl)methyl]amino groups at positions 3, 5, and 7, respectively. It is a potent pan-cyclin dependent kinase inhibitor that exhibits antineoplastic activity.

What is the CAS number of Dinaciclib?

The CAS registry number of Dinaciclib is 779353-01-4.

What is the molecular formula and weight of Dinaciclib?

The molecular formula of Dinaciclib is C21H28N6O2 and its molar mass is 396.50 g/mol.

What is Dinaciclib used for?

Known uses and roles of Dinaciclib include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent, apoptosis inducer, enzyme inhibitor and 2 more.

Is Dinaciclib hazardous?

Dinaciclib carries the GHS signal word "Danger". Main hazards: causes skin irritation, causes serious eye irritation, may cause genetic defects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Dinaciclib?

Dinaciclib is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Dinaciclib?

CompoundList lists 13 suppliers of Dinaciclib in China, United States and Germany. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Dinaciclib?

Suppliers quote Dinaciclib on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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