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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	Simurosertib\|TAK-931\|1330782-76-7\|Simurosertib [USAN]\|LST350G3XU\|TAK931F\|UNII-LST350G3XU\|Tak 931\|WHO 11008\|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\|Thieno(3,2-d)pyrimidin-4(3H)-one, 2-(2S)-1-azabi
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

CCNE1 Tchem G1/S-specific cyclin-E1 0 Activities

Discover Target: CCNE1

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

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 0 Activities

Discover Target: ROCK1

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

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

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): (589-97). [PMID:34020950]
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]

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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

CCNE1 Tchem G1/S-specific cyclin-E1 0 Activities

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

ROCK1 Tclin Rho-associated protein kinase 1 0 Activities

Names and Identifiers

Database links

Certificates

Certificate of Analysis(COA)

Related Documents

References

Solution Calculators

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Dilution Calculator

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