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Screening compounds

Sis3

Also known as Sis3 HCl, SIS3 hydrochloride, SIS 3 Hydrochloride

CAS 521984-48-5Formula C28H28ClN3O3Molar mass 490.00 g/mol
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Sis3 chemical structure, C28H28ClN3O3, CAS 521984-48-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
521984-48-5
Formula
C28H28ClN3O3
Molar mass
490.00 g/mol
HS code
293349
Category
Screening compounds

What is Sis3?

Plain description, key identifiers and synonyms

SIS3 is a hydrochloride resulting from the reaction of SIS3 free base with 1 mol eq. of hydrogen chloride. It has a role as a Smad3 inhibitor. It contains a SIS3 free base(1+).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one, hydrochloride
CAS number
521984-48-5
Molecular formula
C28H28ClN3O3
MDL number
MFCD09265258
InChIKey
CDKIEBFIMCSCBB-CALJPSDSSA-N
InChI
InChI=1S/C28H27N3O3.ClH/c1-30-27(19-8-5-4-6-9-19)22(23-10-7-14-29-28(23)30)11-12-26(32)31-15-13-20-16-24(33-2)25(34-3)17-21(20)18-31;/h4-12,14,16-17H,13,15,18H2,1-3H3;1H/b12-11+;
Canonical SMILES
COc1cc2c(cc1OC)CN(C(=O)C=Cc1c(-c3ccccc3)n(C)c3ncccc13)CC2.Cl
Isomeric SMILES
CN1C(=C(C2=C1N=CC=C2)/C=C/C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)C5=CC=CC=C5.Cl

Synonyms

  • Sis3 HCl
  • SIS3 hydrochloride
  • SIS 3 Hydrochloride
  • (E)-SIS3
  • SIS 3
  • (E)-1-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one hydrochloride
  • 2-Propen-1-one, 1-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-, hydrochloride (1:1), (2E)-
  • (E)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one, hydrochloride
  • C28H28ClN3O3
  • Caneritinib
  • (2E)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-propenone hydrochloride
  • (E)-1-[6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one Hydrochloride
  • 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-[(2E)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-oxo-2-propenyl]-isoquinoline Monohydrochloride
  • SIS3(HCl)
  • Specific Inhibitor of Smad3
  • SIS3, >=98% (HPLC), powder
  • (2E)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one hydrochloride
  • (E)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methyl-2-phenyl-pyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one, hydrochloride
  • (E)-1-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-propen-1-one Hydrochloride
  • (E)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one HCl
  • isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-[(2E)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-oxo-2-propenyl]-, monohydrochloride

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
490.00 g/molcalc.
Exact mass
489.1819 Dacalc.
LogP (octanol/water)
5.28calc.
Topological polar surface area
56.59 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
35calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.21calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
Lipinski rule of five
Passes (1 violation)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=C(C=Cc1c(-c2ccccc2)[nH]c2ncccc12)N1CCc2ccccc2C1

O=C(C=Cc1c(-c2ccccc2)[nH]c2ncccc12)N1CCc2ccccc2C1

5 rings, 29 atoms.

2 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.

Sis3 suppliers

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Sis3 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

  • Smad3 inhibitor

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 Sis3 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 Sis3 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Sis3, based on the data on this page

What is Sis3?

SIS3 is a hydrochloride resulting from the reaction of SIS3 free base with 1 mol eq. of hydrogen chloride. It has a role as a Smad3 inhibitor. It contains a SIS3 free base(1+).

What is the CAS number of Sis3?

The CAS registry number of Sis3 is 521984-48-5.

What is the molecular formula and weight of Sis3?

The molecular formula of Sis3 is C28H28ClN3O3 and its molar mass is 490.00 g/mol.

What is Sis3 used for?

Known uses and roles of Sis3 include building blocks in research and laboratory, screening compounds in research and laboratory and smad3 inhibitor.

Is Sis3 hazardous?

No GHS hazard classification for Sis3 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 Sis3?

Sis3 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 Sis3?

CompoundList lists 1 supplier of Sis3 in Spain. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Sis3?

Suppliers quote Sis3 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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