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Screening compounds

Trotabresib

Also known as Bet inhibitor cc-90010, Cc 90010, 4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methylisoquinolin-1-one

CAS 1706738-98-8Formula C21H21NO4SMolar mass 383.47 g/mol
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Trotabresib chemical structure, C21H21NO4S, CAS 1706738-98-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1706738-98-8
Formula
C21H21NO4S
Molar mass
383.47 g/mol
HS code
293349
Category
Screening compounds

What is Trotabresib?

Plain description, key identifiers and synonyms

Trotabresib is an orally bioavailable inhibitor of the Bromodomain and Extra-Terminal (BET) family of proteins, with potential antineoplastic activity. Upon oral administration, trotabresib preferentially binds to the second bromodomain (BD2) of BET proteins, thereby preventing the interaction between the BET proteins and acetylated histones. This disrupts chromatin remodeling and gene expression. Prevention of the expression of certain growth-promoting genes may lead to an inhibition of proliferation in BET-overexpressing tumor cells. BET proteins (BRD2, BRD3, BRD4 and BRDT) are transcriptional regulators that contain two homologous bromodomains, the BD1 and BD2 domains. They play an important role during development and cellular growth.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methylisoquinolin-1-one
CAS number
1706738-98-8
Molecular formula
C21H21NO4S
UNII
K424WH3WU0
MDL number
MFCD32874157
InChIKey
UWZAJPITKGWMFJ-UHFFFAOYSA-N
InChI
InChI=1S/C21H21NO4S/c1-22-12-19(16-5-3-4-6-17(16)21(22)23)18-11-15(27(2,24)25)9-10-20(18)26-13-14-7-8-14/h3-6,9-12,14H,7-8,13H2,1-2H3
SMILES (canonical and isomeric)
CN1C=C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)S(=O)(=O)C)OCC4CC4

Synonyms

  • Bet inhibitor cc-90010
  • Cc 90010
  • 4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methylisoquinolin-1-one
  • Trotabresib (USAN)
  • 1(2H)-Isoquinolinone, 4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)phenyl)-2-methyl-
  • 4-(2-(Cyclopropylmethoxy)-5-methylsulfonylphenyl)-2-methylisoquinolin-1-one
  • 4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)phenyl)-2-methylisoquinolin-1(2H)-one
  • (4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one
  • 4-[2-(Cyclopropylmethoxy)-5-(methylsulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one
  • Trotabresib (CC-90010)
  • Trotabresib (CC-90010)?
  • US10023592, Example 89
  • WHO 11839
  • 2-[[3-[[2-(dimethylamino)phenyl]methyl]-2-(4-pyridyl)hexahydropyrimidin-1-yl]m
  • 4-[2-(cyclopropylmethoxy)- 5-methylsulfonylphenyl]-2- methylisoquinolin-1-one
  • 4-[2-(cyclopropylmethoxy)-5-methylsulfonyl-phenyl]-2-methyl-isoquinolin-1-one
  • UHI

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
383.47 g/molcalc.
Exact mass
383.1191 Dacalc.
LogP (octanol/water)
3.4calc.
Topological polar surface area
65.37 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
27calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
0calc.
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, O=c1[nH]cc(-c2ccccc2OCC2CC2)c2ccccc12

O=c1[nH]cc(-c2ccccc2OCC2CC2)c2ccccc12

4 rings, 22 atoms.

No other chemical in our database has 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.

Trotabresib suppliers

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

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  • Ureiko
    ChinaUnclaimed profile
    TrotabresibGrade, purity and minimum order on request
    Price on request
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Where suppliers are based

1 supplier in 1 country

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Trotabresib 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

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 Trotabresib is traded under.

HS 2933.49Indicative HS code

Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…

World exports in 2024
$939M
−14.6% vs 2023, imports $1.48B
2019 to 2024
Top exporters
  1. China30.1%
  2. India * partner reported16.7%
  3. Switzerland * partner reported14.1%
Top importers
  1. United Kingdom19.2%
  2. Germany16.0%
  3. Romania8.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Trotabresib?

Trotabresib is an orally bioavailable inhibitor of the Bromodomain and Extra-Terminal (BET) family of proteins, with potential antineoplastic activity.

What is the CAS number of Trotabresib?

The CAS registry number of Trotabresib is 1706738-98-8.

What is the molecular formula and weight of Trotabresib?

The molecular formula of Trotabresib is C21H21NO4S and its molar mass is 383.47 g/mol.

What is Trotabresib used for?

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

Is Trotabresib hazardous?

No GHS hazard classification for Trotabresib 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 Trotabresib?

Trotabresib is usually classified under HS code 293349 (Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Trotabresib?

CompoundList lists 1 supplier of Trotabresib 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 Trotabresib?

Suppliers quote Trotabresib 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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