Roniciclib (CAS 1223498-69-8): price, suppliers and safety

What is Roniciclib?

Plain description, key identifiers and synonyms

Roniciclib is an orally bioavailable cyclin dependent kinase (CDK) inhibitor with potential antineoplastic activity. Roniciclib selectively binds to and inhibits the activity of CDK1/Cyclin B, CDK2/Cyclin E, CDK4/Cyclin D1, and CDK9/Cyclin T1, serine/threonine kinases that play key roles in the regulation of the cell cycle progression and cellular proliferation. Inhibition of these kinases leads to cell cycle arrest during the G1/S transition, thereby leading to an induction of apoptosis, and inhibition of tumor cell proliferation. CDKs are often dysregulated in cancerous cells.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: (2R,3R)-3-[2-[4-(cyclopropylsulfonimidoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]oxybutan-2-ol
CAS number: 1223498-69-8
Molecular formula: C₁₈H₂₁F₃N₄O₃S
UNII: 0W9Q8U337A
InChIKey: UELYDGOOJPRWGF-SRQXXRKNSA-N
InChI: InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29+/m1/s1
Canonical SMILES: CC(O)C(C)Oc1nc(Nc2ccc(S(=N)(=O)C3CC3)cc2)ncc1C(F)(F)F
Isomeric SMILES: C[C@H]([C@@H](C)OC1=NC(=NC=C1C(F)(F)F)NC2=CC=C(C=C2)[S@](=N)(=O)C3CC3)O

Synonyms

roniciclibum
(cyclopropyl((4-((4-(((2R,3R)-3-hydroxybutan-2-yl)oxy)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl))imino-lambda6-sulfanyl)one
(2R,3R)-3-((2-((4-(cyclopropanesulfonimidoyl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)oxy)butan-2-ol
Roniciclib (Synonyms: BAY 1000394)
(2R,3R)-3-((2-((4-((R)-Cyclopropanesulfonimidoyl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)oxy)butan-2-ol
(2R,3R)-3-[2-[4-(cyclopropylsulfonimidoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]oxybutan-2-ol
(2R,3R)-3-{[2-({4-[(R)-amino(cyclopropyl)hydroxy-lambda~4~-sulfanyl]phenyl}amino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy}butan-2-ol
(R)-cyclopropyl(4-((4-(((2R,3R)-3-hydroxybutan-2-yl)oxy)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)(imino)-l6-sulfanone
(R)-S-Cyclopropyl-S-(4-((4-(((1R,2R)-2-hydroxy-1-methylpropyl)oxy)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)sulfoximide
2-Butanol, 3-((2-((4-((s(R))-S-cyclopropylsulfonimidoyl)phenyl)amino)-5-(trifluoromethyl)-4-pyrimidinyl)oxy)-, (2R,3R)-

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	430.45 g/molcalc.
Exact mass	430.1286 Dacalc.
LogP (octanol/water)	3.96calc.
Topological polar surface area	108.2 Å²calc.
Hydrogen bond donors	3calc.
Hydrogen bond acceptors	7calc.
Rotatable bonds	7calc.
Heavy atoms	29calc.
Rings	3calc.
Aromatic rings	2calc.
Fraction sp3 carbons	0.44calc.
Formal charge	0calc.
Stereocentres	3calc.
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

N=S(=O)(c1ccc(Nc2ncccn2)cc1)C1CC1

3 rings, 19 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Roniciclib suppliers

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ubiochem.cn
ChinaUnclaimed profile
RoniciclibGrade, purity and minimum order on request
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Where suppliers are based

1 supplier in 1 country

China1

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Roniciclib 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

Industries and functions

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 Roniciclib 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

Ireland43.6%
Switzerland * partner reported26.3%
China7.9%

Top importers

* Partner reported figures, a lower bound.

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

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

Parent and salt forms, stereoisomers, similar structures and isomers

Stereoisomers and isotopic forms

Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)

Bay 10-00394 chemical structure, C18H21F3N4O3S, CAS 1223498-26-7

Bay 10-003941223498-26-7C₁₈H₂₁F₃N₄O₃S

Same formula isomers

Different compounds that share this molecular formula

All isomers

4-Cyclopropyl-1-methyl-3-(1-((2-(trifluoromethyl)phenyl)sulfonyl)piperidin-4-yl)-1H-1,2,4-triazol-5(4H)-one chemical structure, C18H21F3N4O3S, CAS 1797061-30-3

4-Cyclopropyl-1-methyl-3-(1-((2-(trifluoromethyl)phenyl)sulfonyl)piperidin-4-yl)-1H-1,2,4-triazol-5(4H)-one1797061-30-3C₁₈H₂₁F₃N₄O₃S

1-(4-((1-Methyl-1H-pyrazol-4-yl)sulfonyl)-1,4-diazepan-1-yl)-2-(3-(trifluoromethyl)phenyl)ethanone chemical structure, C18H21F3N4O3S, CAS 2034245-19-5

1-(4-((1-Methyl-1H-pyrazol-4-yl)sulfonyl)-1,4-diazepan-1-yl)-2-(3-(trifluoromethyl)phenyl)ethanone2034245-19-5C₁₈H₂₁F₃N₄O₃S

1-{4-[(4-Methyl-4H-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl}-3-[4-(trifluoromethyl)phenyl]propan-1-one chemical structure, C18H21F3N4O3S, CAS 1448027-81-3

1-{4-[(4-Methyl-4H-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl}-3-[4-(trifluoromethyl)phenyl]propan-1-one1448027-81-3C₁₈H₂₁F₃N₄O₃S

(E)-4-Methyl-1-(1-((4-methylstyryl)sulfonyl)piperidin-4-yl)-3-(trifluoromethyl)-1H-1,2,4-triazol-5(4H)-one chemical structure, C18H21F3N4O3S, CAS 2035019-01-1

(E)-4-Methyl-1-(1-((4-methylstyryl)sulfonyl)piperidin-4-yl)-3-(trifluoromethyl)-1H-1,2,4-triazol-5(4H)-one2035019-01-1C₁₈H₂₁F₃N₄O₃S

1-(Methylsulfonyl)-N-{1-[3-(trifluoromethyl)benzyl]-1H-pyrazol-4-yl}piperidine-4-carboxamide chemical structure, C18H21F3N4O3S, CAS 1005565-90-1

1-(Methylsulfonyl)-N-{1-[3-(trifluoromethyl)benzyl]-1H-pyrazol-4-yl}piperidine-4-carboxamide1005565-90-1C₁₈H₂₁F₃N₄O₃S

2-((5-(Hydroxymethyl)-1-(2-(isopropylamino)-2-oxoethyl)-1H-imidazol-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide chemical structure, C18H21F3N4O3S, CAS 921867-07-4

2-((5-(Hydroxymethyl)-1-(2-(isopropylamino)-2-oxoethyl)-1H-imidazol-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide921867-07-4C₁₈H₂₁F₃N₄O₃S

2-((5-(Hydroxymethyl)-1-(2-(isopropylamino)-2-oxoethyl)-1H-imidazol-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide chemical structure, C18H21F3N4O3S, CAS 921795-13-3

2-((5-(Hydroxymethyl)-1-(2-(isopropylamino)-2-oxoethyl)-1H-imidazol-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide921795-13-3C₁₈H₂₁F₃N₄O₃S

2-((5-(Hydroxymethyl)-1-(2-(isopropylamino)-2-oxoethyl)-1H-imidazol-2-yl)thio)-N-(4-(trifluoromethyl)phenyl)acetamide chemical structure, C18H21F3N4O3S, CAS 921566-46-3

2-((5-(Hydroxymethyl)-1-(2-(isopropylamino)-2-oxoethyl)-1H-imidazol-2-yl)thio)-N-(4-(trifluoromethyl)phenyl)acetamide921566-46-3C₁₈H₂₁F₃N₄O₃S

N-(2-(5-Cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-4-(N,N-dimethylsulfamoyl)benzamide chemical structure, C18H21F3N4O3S, CAS 1797665-98-5

N-(2-(5-Cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-4-(N,N-dimethylsulfamoyl)benzamide1797665-98-5C₁₈H₂₁F₃N₄O₃S

N-((6-Methyl-2-(piperidin-1-yl)pyrimidin-4-yl)methyl)-4-(trifluoromethoxy)benzenesulfonamide chemical structure, C18H21F3N4O3S, CAS 1797813-42-3

N-((6-Methyl-2-(piperidin-1-yl)pyrimidin-4-yl)methyl)-4-(trifluoromethoxy)benzenesulfonamide1797813-42-3C₁₈H₂₁F₃N₄O₃S

N-((1-(6-Methylpyridazin-3-yl)piperidin-4-yl)methyl)-4-(trifluoromethoxy)benzenesulfonamide chemical structure, C18H21F3N4O3S, CAS 1797952-07-8

N-((1-(6-Methylpyridazin-3-yl)piperidin-4-yl)methyl)-4-(trifluoromethoxy)benzenesulfonamide1797952-07-8C₁₈H₂₁F₃N₄O₃S

4-(4-((4-Methoxy-3-methylphenyl)sulfonyl)piperazin-1-yl)-2-methyl-6-(trifluoromethyl)pyrimidine chemical structure, C18H21F3N4O3S, CAS 2034345-81-6

4-(4-((4-Methoxy-3-methylphenyl)sulfonyl)piperazin-1-yl)-2-methyl-6-(trifluoromethyl)pyrimidine2034345-81-6C₁₈H₂₁F₃N₄O₃S

Frequently asked questions

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

What is Roniciclib?

Roniciclib is an orally bioavailable cyclin dependent kinase (CDK) inhibitor with potential antineoplastic activity.

What is the CAS number of Roniciclib?

The CAS registry number of Roniciclib is 1223498-69-8.

What is the molecular formula and weight of Roniciclib?

The molecular formula of Roniciclib is C18H21F3N4O3S and its molar mass is 430.45 g/mol.

What is Roniciclib used for?

Known uses and roles of Roniciclib include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Roniciclib hazardous?

No GHS hazard classification for Roniciclib is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Roniciclib?

Roniciclib 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 Roniciclib?

CompoundList lists 1 supplier of Roniciclib in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Roniciclib?

Suppliers quote Roniciclib 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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Roniciclib

Key facts

What is Roniciclib?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Roniciclib suppliers

Where suppliers are based

Send one request to many suppliers

Roniciclib price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Roniciclib?

What is the CAS number of Roniciclib?

What is the molecular formula and weight of Roniciclib?

What is Roniciclib used for?

Is Roniciclib hazardous?

What is the HS code of Roniciclib?

Where can I buy Roniciclib?

What is the price of Roniciclib?

Guides for buyers

Get quotes for Roniciclib

Key facts

What is Roniciclib?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Roniciclib suppliers

Where suppliers are based

Send one request to many suppliers

Roniciclib price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Related chemicals

Stereoisomers and isotopic forms

Same formula isomers

Frequently asked questions

What is Roniciclib?

What is the CAS number of Roniciclib?

What is the molecular formula and weight of Roniciclib?

What is Roniciclib used for?

Is Roniciclib hazardous?

What is the HS code of Roniciclib?

Where can I buy Roniciclib?

What is the price of Roniciclib?

Guides for buyers

Get quotes for Roniciclib