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simurosertib , Cell division cycle 7-related protein kinase inhibitor, CAS No.1330782-76-7, Cell division cycle 7-related protein kinase inhibitor

Moligand™

≥98%

CAS#: 1330782-76-7
Formula: C₁₇H₁₉N₅OS
Molecular Weight: 341.43
PubChem CID: 135564531

Item Number

S613587

Grouped product items
SKU	Size	Availability	Price
S613587-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$115.90
S613587-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$184.90
S613587-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$369.90
S613587-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$589.90
S613587-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$939.90

View related series

CDK cell division cycle 7 Inhibitor

Basic Description

Synonyms	TAK-931
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	Simurosertib (TAK-931) is an orally active, selective and ATP-competitive cell division cycle 7 (CDC7) kinase inhibitor, with an IC50 of <0.3 nM. Simurosertib has anti-cancer activity.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Cell division cycle 7-related protein kinase inhibitor

Associated Targets(Human)

CDC7 Tchem Cell division cycle 7-related protein kinase (2 Activities)

Discover Target: CDC7

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

ROCK1 Tclin Rho-associated protein kinase 1 (4723 Activities)

Discover Target: ROCK1

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

COLO 205 (50209 Activities)

Explore this target

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

CDC7 Tchem Cell division cycle 7-related protein kinase (1385 Activities)

Discover Target: CDC7

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

CCNE1 Tchem Cyclin-dependent kinase 2/cyclin E1 (1877 Activities)

Discover Target: CCNE1

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

Names and Identifiers

IUPAC Name	2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
INCHI	InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)/t13-/m0/s1
InChi Key	XGVXKJKTISMIOW-ZDUSSCGKSA-N
Canonical SMILES	CC1=C(C=NN1)C2=CC3=C(S2)C(=O)NC(=N3)C4CC5CCN4CC5
Isomeric SMILES	CC1=C(C=NN1)C2=CC3=C(S2)C(=O)NC(=N3)[C@@H]4CC5CCN4CC5
Alternate CAS	1330782-69-8
PubChem CID	135564531
MeSH Entry Terms	2-((2S)-1-azabicyclo(2.2.2)octan-2-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno(3,2-d)pyrimidin-4-one;simurosertib;TAK-931
Molecular Weight	341.43

PubChem CID

135564531

CAS Registry No.

1330782-76-7

RCSB PDB Ligand

O1V

Certificates

Certificate of Analysis(COA)

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

10 results found

Lot Number	Certificate Type	Date	Item
J2421742	Certificate of Analysis	Jul 25, 2024	S613587
J2421743	Certificate of Analysis	Jul 25, 2024	S613587
J2421773	Certificate of Analysis	Jul 25, 2024	S613587
J2421774	Certificate of Analysis	Jul 25, 2024	S613587
J2421775	Certificate of Analysis	Jul 25, 2024	S613587
J2421776	Certificate of Analysis	Jul 25, 2024	S613587
J2421777	Certificate of Analysis	Jul 25, 2024	S613587
J2421779	Certificate of Analysis	Jul 25, 2024	S613587
J2421780	Certificate of Analysis	Jul 25, 2024	S613587
J2421781	Certificate of Analysis	Jul 25, 2024	S613587

References

1. Iwai K, Nambu T, Kashima Y, Yu J, Eng K, Miyamoto K, Kakoi K, Gotou M, Takeuchi T, Kogame A et al.. (2021) A CDC7 inhibitor sensitizes DNA-damaging chemotherapies by suppressing homologous recombination repair to delay DNA damage recovery.. Sci Adv, 7 (21): (1755-70). [PMID:34020950] [10.1126/sciadv.abf0197]
2. Kurasawa O, Miyazaki T, Homma M, Oguro Y, Imada T, Uchiyama N, Iwai K, Yamamoto Y, Ohori M, Hara H et al.. (2020) Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 Inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Antitumor Agent.. J Med Chem, 63 (3): (1084-1104). [PMID:31895562] [10.1021/op500134e]

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simurosertib , Cell division cycle 7-related protein kinase inhibitor, CAS No.1330782-76-7, Cell division cycle 7-related protein kinase inhibitor

Basic Description

Product Properties

Associated Targets(Human)

Mechanisms of Action