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TGF_beta_Smad
TGF-beta/Smad
SIS 3 Hydrochloride - ≥98%, high purity , CAS No.521984-48-5

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SIS 3 Hydrochloride - ≥98%, high purity , CAS No.521984-48-5

COA

Grade & Purity:

≥98%

Cas Number: 521984-48-5
Molecular Weight: 489.99
MDL number: MFCD09265258
PubChem CID: 16079005
PubChem SID: 504768035

In stock

Item Number

S276442

Grouped product items
SKU	Size	Availability	Price
S276442-1mg	1mg	2	$33.90
S276442-5mg	5mg	2	$137.90
S276442-25mg	25mg	2	$434.90
S276442-50mg	50mg	2	$783.90
S276442-100mg	100mg	2	$1,409.90

Smad3 inhibitor

View related series

Stem Cell/Wnt (1019) TGF-beta/Smad (303)

Basic Description

Synonyms	(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
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	SUGAR INSENSITIVE 3(SIS3) promotes drug-induced apoptosis and blocks the function of Adenosine triphosphate binding cassette 1(ABC) transporter (ABCB1) and ABCG2. It reactivates ABCB1 and ABCG2 overexpressed in cancer cells, which helps with chemotherapy.
Storage Temp	Store at 2-8°C,Protected from light,Argon charged,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Note	Refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description	Shipped at 4°C. Store at -20°C. Store In the Dark. Store under desiccating conditions.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrroles
    - Subclass Substituted pyrroles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Substituted pyrroles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrroles
Alternative Parents	Tetrahydroisoquinolines Pyrrolopyridines Anisoles Alkyl aryl ethers Pyridines and derivatives Benzene and substituted derivatives N-methylpyrroles Heteroaromatic compounds Tertiary carboxylic acid amides Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	2-phenylpyrrole - Tetrahydroisoquinoline - Pyrrolopyridine - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - N-methylpyrrole - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organooxygen compound - Hydrochloride - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors	hydrochloride
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

A549 (127892 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504768035
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768035
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
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+;
InChIKey	CDKIEBFIMCSCBB-CALJPSDSSA-N
Smiles	CN1C(=C(C2=C1N=CC=C2)C=CC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)C5=CC=CC=C5.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
PubChem CID	16079005
Molecular Weight	489.99

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
K2211724	Certificate of Analysis	Aug 17, 2023	S276442
K2211534	Certificate of Analysis	Aug 17, 2023	S276442
K2211561	Certificate of Analysis	Aug 17, 2023	S276442
K2211705	Certificate of Analysis	Aug 17, 2023	S276442
K2211529	Certificate of Analysis	Aug 17, 2023	S276442

Chemical and Physical Properties

Solubility	Soluble in DMSO to >25 mM
Sensitivity	Heat sensitive；Moisture sensitive ；light sensitive
Molecular Weight	490.000 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	489.182 Da
Monoisotopic Mass	489.182 Da
Topological Polar Surface Area	56.600 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	724.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	2

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