Atuveciclib (CAS 1414943-94-4): price, suppliers and safety

What is Atuveciclib?

Plain description, key identifiers and synonyms

Atuveciclib is an inhibitor of positive transcription elongation factor b (P-TEFb), which is composed of cyclin-dependent kinase 9 (CDK9) and cyclin-T (CycT), with potential antineoplastic activity. Upon administration, atuveciclib binds to and inhibits the activity of P-TEFb, thereby preventing the phosphorylation of its downstream target, the carboxyl terminal domain (CTD) of RNA polymerase II (RNA Pol II), and inhibiting the activation of transcriptional elongation by RNA Pol II. This prevents the transcription of tumor promoting genes, induces tumor cell apoptosis, and inhibits tumor cell proliferation. P-TEFb plays an important role in the regulation of gene transcription, over-activation in cancer cells leads to both the transcription of key tumor-promoting genes and cancer cell proliferation.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: 4-(4-fluoro-2-methoxyphenyl)-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine
CAS number: 1414943-94-4Other or deprecated CAS: 2923012-24-0
Molecular formula: C₁₈H₁₈FN₅O₂S
UNII: 63Q7F59W0V
InChIKey: ACWKGTGIJRCOOM-HHHXNRCGSA-N
InChI: InChI=1S/C18H18FN5O2S/c1-26-16-9-13(19)6-7-15(16)17-21-11-22-18(24-17)23-14-5-3-4-12(8-14)10-27(2,20)25/h3-9,11,20H,10H2,1-2H3,(H,21,22,23,24)/t27-/m1/s1
Canonical SMILES: COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
Isomeric SMILES: COC1=C(C=CC(=C1)F)C2=NC(=NC=N2)NC3=CC=CC(=C3)C[S@](=N)(=O)C

Synonyms

4-(4-fluoro-2-methoxyphenyl)-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine
1,3,5-Triazin-2-amine, 4-(4-fluoro-2-methoxyphenyl)-N-(3-((S-methylsulfonimidoyl)methyl)phenyl)-, (+)-
BAY 1143572
atuveciclibum
4-(4-fluoro-2-methoxyphenyl)-N-(3-((methylsulfonimidoyl)methyl)phenyl)-1,3,5-triazin-2-amine
4-(4-fluoro-2-methoxyphenyl)-N-(3-((S-methylsulfonimidoyl)methyl)phenyl)-1,3,5-triazin-2-amine
(+)-(3-((4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl)amino)benzyl)(imino)(methyl)-l6-sulfanone

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	387.44 g/molcalc.
Exact mass	387.1165 Dacalc.
LogP (octanol/water)	3.61calc.
Topological polar surface area	100.9 Å²calc.
Hydrogen bond donors	2calc.
Hydrogen bond acceptors	7calc.
Rotatable bonds	6calc.
Heavy atoms	27calc.
Rings	3calc.
Aromatic rings	3calc.
Fraction sp3 carbons	0.17calc.
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

c1ccc(Nc2ncnc(-c3ccccc3)n2)cc1

3 rings, 19 atoms.

52 other chemicals 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.

Atuveciclib suppliers

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

No supplier listings yet

Post one free request and suppliers who make or trade Atuveciclib can send you quotes. Your contact details stay private until you accept a quote.

Request quotes Sell this chemical

Atuveciclib price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Industries and functions

Roles

antineoplastic agent
pharmaceutical

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 Atuveciclib is traded under.

HS 2933.69Indicative HS code

Compounds containing an unfused triazine ring (whether or not hydrogenated) in the…

World exports in 2024

$2.46B

+1.8% vs 2023, imports $2.44B

2019 to 2024

Top exporters

China53.6%
Germany11.5%
India * partner reported8.4%

Top importers

* Partner reported figures, a lower bound.

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

The HS code shown for Atuveciclib 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)

Atuveciclib racemate chemical structure, C18H18FN5O2S, CAS 1414943-88-6

Atuveciclib racemate1414943-88-6C₁₈H₁₈FN₅O₂S1 supplier

Atuveciclib S-enantiomer chemical structure, C18H18FN5O2S, CAS 2250279-81-1

Atuveciclib S-enantiomer2250279-81-1C₁₈H₁₈FN₅O₂S

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

3-[(4-(4-Fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl)amino]-benzene-methanesulfonamide chemical structure, C17H16FN5O3S, CAS 1335490-39-5

1-(3-{[4-(4-Fluoro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino}phenyl)-methanesulfonamide hydrochloride chemical structure, C17H17ClFN5O3S, CAS 1424871-27-1

3-[(4-(2-Methoxyphenyl)-1,3,5-triazin-2-yl)amino]benzenemethanesulfonamide chemical structure, C17H17N5O3S, CAS 1335490-37-3

3-[(4-(4-Chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl)amino]benzenemethanesulfonamide chemical structure, C17H16ClN5O3S, CAS 1335490-45-3

3-[(4-(3-Methoxypyridin-4-yl)-1,3,5-triazin-2-yl)amino]benzenemethanesulfonamide chemical structure, C16H16N6O3S, CAS 1335490-69-1

2-[3-((4-(2-Methoxyphenyl)-1,3,5-triazin-2-yl)amino)phenyl]ethanesulfonamide chemical structure, C18H19N5O3S, CAS 1335490-83-9

Same formula isomers

Different compounds that share this molecular formula

All isomers

2-[[1-(4-Fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-oxolanylmethyl)acetamide chemical structure, C18H18FN5O2S, CAS 872856-78-5

2-[[1-(4-Fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-oxolanylmethyl)acetamide872856-78-5C₁₈H₁₈FN₅O₂S

2-[[3-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]-N-(2-oxolanylmethyl)acetamide chemical structure, C18H18FN5O2S, CAS 852374-14-2

2-[[3-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]-N-(2-oxolanylmethyl)acetamide852374-14-2C₁₈H₁₈FN₅O₂S

2-{[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide chemical structure, C18H18FN5O2S, CAS 894059-39-3

2-{[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide894059-39-3C₁₈H₁₈FN₅O₂S

2-{[3-(3-Fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}-N-(tetrahydrofuran-2-ylmethyl)acetamide chemical structure, C18H18FN5O2S, CAS 852374-98-2

2-{[3-(3-Fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}-N-(tetrahydrofuran-2-ylmethyl)acetamide852374-98-2C₁₈H₁₈FN₅O₂S

2-((4,6-Dimethylpyrimidin-2-yl)amino)-N-(2-(4-fluorophenoxy)ethyl)thiazole-4-carboxamide chemical structure, C18H18FN5O2S, CAS 1251563-50-4

2-((4,6-Dimethylpyrimidin-2-yl)amino)-N-(2-(4-fluorophenoxy)ethyl)thiazole-4-carboxamide1251563-50-4C₁₈H₁₈FN₅O₂S

2-((1-(4-Fluorophenyl)-4-methyl-1H-pyrazolo[3,4-d]pyridazin-7-yl)thio)-1-morpholinoethanone chemical structure, C18H18FN5O2S, CAS 1105201-82-8

2-((1-(4-Fluorophenyl)-4-methyl-1H-pyrazolo[3,4-d]pyridazin-7-yl)thio)-1-morpholinoethanone1105201-82-8C₁₈H₁₈FN₅O₂S

2-((1-(4-Ethoxyphenyl)-1H-tetrazol-5-yl)thio)-N-(2-fluorophenyl)propanamide chemical structure, C18H18FN5O2S, CAS 887348-72-3

2-((1-(4-Ethoxyphenyl)-1H-tetrazol-5-yl)thio)-N-(2-fluorophenyl)propanamide887348-72-3C₁₈H₁₈FN₅O₂S

2-{[4-Amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide chemical structure, C18H18FN5O2S, CAS 842977-01-9

2-{[4-Amino-5-(3-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide842977-01-9C₁₈H₁₈FN₅O₂S

2-((4-Ethyl-5-(1-methyl-2-oxo-1,2-dihydropyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluorophenyl)acetamide chemical structure, C18H18FN5O2S, CAS 1105207-51-9

2-((4-Ethyl-5-(1-methyl-2-oxo-1,2-dihydropyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluorophenyl)acetamide1105207-51-9C₁₈H₁₈FN₅O₂S

2-((4-Fluorophenyl)thio)-N-(2-(4-methyl-5-oxo-3-(pyridin-2-yl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)ethyl)acetamide chemical structure, C18H18FN5O2S, CAS 1396814-37-1

2-((4-Fluorophenyl)thio)-N-(2-(4-methyl-5-oxo-3-(pyridin-2-yl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)ethyl)acetamide1396814-37-1C₁₈H₁₈FN₅O₂S

2-{[4-Amino-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide chemical structure, C18H18FN5O2S, CAS 568560-42-9

2-{[4-Amino-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide568560-42-9C₁₈H₁₈FN₅O₂S

$2-[6-(4-Fluorophenyl)-2-oxo-10-thia-1,5,6,8-tetraazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),4,8-trien-12-yl]-N-(propan-2-yl)acetamide chemical structure, C18H18FN5O2S, CAS 941994-29-2$

2-[6-(4-Fluorophenyl)-2-oxo-10-thia-1,5,6,8-tetraazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),4,8-trien-12-yl]-N-(propan-2-yl)acetamide941994-29-2C₁₈H₁₈FN₅O₂S

Frequently asked questions

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

What is Atuveciclib?

Atuveciclib is an inhibitor of positive transcription elongation factor b (P-TEFb), which is composed of cyclin-dependent kinase 9 (CDK9) and cyclin-T (CycT), with potential antineoplastic activity.

What is the CAS number of Atuveciclib?

The CAS registry number of Atuveciclib is 1414943-94-4. Other or deprecated CAS numbers: 2923012-24-0.

What is the molecular formula and weight of Atuveciclib?

The molecular formula of Atuveciclib is C18H18FN5O2S and its molar mass is 387.44 g/mol.

What is Atuveciclib used for?

Known uses and roles of Atuveciclib include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent and pharmaceutical.

Is Atuveciclib hazardous?

No GHS hazard classification for Atuveciclib 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 Atuveciclib?

Atuveciclib is usually classified under HS code 293369 (Compounds containing an unfused triazine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Atuveciclib?

Post a free request on CompoundList and suppliers of Atuveciclib will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Atuveciclib?

Suppliers quote Atuveciclib 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

Practical guides that help when you source, ship or handle Atuveciclib

Atuveciclib

Key facts

What is Atuveciclib?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Atuveciclib suppliers

Atuveciclib price

Uses and applications

Industries and functions

Roles

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Atuveciclib?

What is the CAS number of Atuveciclib?

What is the molecular formula and weight of Atuveciclib?

What is Atuveciclib used for?

Is Atuveciclib hazardous?

What is the HS code of Atuveciclib?

Where can I buy Atuveciclib?

What is the price of Atuveciclib?

Guides for buyers

Get quotes for Atuveciclib

Key facts

What is Atuveciclib?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Atuveciclib suppliers

Atuveciclib price

Uses and applications

Industries and functions

Roles

Regulatory status

HS code and trade data

Global trade

Related chemicals

Stereoisomers and isotopic forms

Similar structures

Same formula isomers

Frequently asked questions

What is Atuveciclib?

What is the CAS number of Atuveciclib?

What is the molecular formula and weight of Atuveciclib?

What is Atuveciclib used for?

Is Atuveciclib hazardous?

What is the HS code of Atuveciclib?

Where can I buy Atuveciclib?

What is the price of Atuveciclib?

Guides for buyers

Get quotes for Atuveciclib