Skip to the beginning of the images gallery

BYK204165 - ≥98%, high purity , CAS No.1104546-89-5

COA

Grade & Purity:

≥98%

Cas Number: 1104546-89-5
Molecular Weight: 252.27
PubChem CID: 25113764
PubChem SID: 488200764

In stock

Item Number

B330537

Grouped product items
SKU	Size	Availability	Price
B330537-5mg	5mg	2	$102.90
B330537-25mg	25mg	2	$463.90
B330537-50mg	50mg	2	$687.90
B330537-100mg	100mg	2	$1,238.90
B330537-250mg	250mg	2	$2,786.90

a potent and selective PARP-1 inhibitior

View related series

Cell Cycle/DNA Damage (2602) DNA Damage (697) Epigenetics (1496) Histone Modification (1379) PARP (124)

Basic Description

Synonyms	HMS3678B15 \| BYK204165 \| BYK-204165 \| SCHEMBL22022391 \| PARP Inhibitor XIV - CAS 1104546-89-5 \| AKOS024457779 \| HMS3414B15 \| (4Z)-4-[(1-methylpyrrol-2-yl)methylidene]isoquinoline-1,3-dione \| 1104546-89-5 \| BDBM27496 \| PARP Inhibitor XIV \| (4Z)-4-[(1-methy
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	BYK204165 is a potent and selective inhibitor of poly(ADP-ribose) polymerase 1 (PARP1). It is 100-fold selective for PARP-1 over PARP-2.
Storage Temp	Store at -20°C,Argon charged,Desiccated
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	BYK204165, also known as PARP Inhibitor XIV, is a cell-permeable isoquinolinedione compound that potently and selectively inhibits poly (ADP-ribose) polymerase 1 (PARP1). PARP1 is a nuclear enzyme involved in the regulation of various cell processes such as differentiation, proliferation, and tumor transformation. It is also involved in the regulation of the molecular events involved in the recovery of cell from DNA damage. BYK204165's potency is similar or higher than most current standard PARP-1 inhibitors (just slightly lower than PJ34), and it is 100-fold selective for PARP-1 over PARP-2

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoquinolines and derivatives
    - Subclass 1,3-isoquinolinediones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoquinolines and derivatives
Subclass	1,3-isoquinolinediones
Intermediate Tree Nodes	Not available
Direct Parent	1,3-isoquinolinediones
Alternative Parents	Isoquinolones and derivatives Tetrahydroisoquinolines N-methylpyrroles Benzenoids N-unsubstituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,3-isoquinolinedione - Isoquinolone - Tetrahydroisoquinoline - N-methylpyrrole - Benzenoid - Substituted pyrrole - Carboxylic acid imide - Dicarboximide - Heteroaromatic compound - Pyrrole - Carboxylic acid imide, n-unsubstituted - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1,3-isoquinolinediones. These are isoquinoline derivatives carrying one C=O group at positions 1, and 3 respectively.
External Descriptors	Not available
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)

PARP1 Tclin Poly [ADP-ribose] polymerase 1 (1 Activities)

Discover Target: PARP1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)

Discover Target: PARP1

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

PARP2 Tclin Poly [ADP-ribose] polymerase 2 (1185 Activities)

Discover Target: PARP2

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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	488200764
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488200764
IUPAC Name	(4Z)-4-[(1-methylpyrrol-2-yl)methylidene]isoquinoline-1,3-dione
INCHI	InChI=1S/C15H12N2O2/c1-17-8-4-5-10(17)9-13-11-6-2-3-7-12(11)14(18)16-15(13)19/h2-9H,1H3,(H,16,18,19)/b13-9-
InChIKey	BTYSIDSTHDDAJW-LCYFTJDESA-N
Smiles	CN1C=CC=C1C=C2C3=CC=CC=C3C(=O)NC2=O
Isomeric SMILES	CN1C=CC=C1/C=C\2/C3=CC=CC=C3C(=O)NC2=O
WGK Germany	3
Molecular Weight	252.27
Reaxy-Rn	26529882
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26529882&ln=

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.

11 results found

Lot Number	Certificate Type	Date	Item
A23301150	Certificate of Analysis	Nov 07, 2022	B330537
A2330825	Certificate of Analysis	Nov 07, 2022	B330537
A2330779	Certificate of Analysis	Nov 07, 2022	B330537
A2330862	Certificate of Analysis	Nov 07, 2022	B330537
A2330780	Certificate of Analysis	Nov 07, 2022	B330537
A2330754	Certificate of Analysis	Nov 07, 2022	B330537
A2330781	Certificate of Analysis	Nov 07, 2022	B330537
A2330785	Certificate of Analysis	Nov 07, 2022	B330537
A2330786	Certificate of Analysis	Nov 07, 2022	B330537
A2330856	Certificate of Analysis	Nov 07, 2022	B330537
A2330782	Certificate of Analysis	Nov 07, 2022	B330537

Show more⌵

Chemical and Physical Properties

Solubility	Soluble in DMSO (10 mg/ml).
Sensitivity	Moisture sensitive
Molecular Weight	252.270 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	252.09 Da
Monoisotopic Mass	252.09 Da
Topological Polar Surface Area	51.100 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	430.000
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	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration