Simurosertib
Simurosertib, also known as TAK-931, is an orally bioavailable inhibitor of cell division cycle 7 (cell division cycle 7-related protein kinase; CDC7), with potential antineoplastic activity. Upon administration, TAK-931 binds to and inhibits CDC7; this prevents the initiation of DNA replication during mitosis, which causes cell cycle arrest and induces apoptosis. This inhibits cell growth in CDC7-overexpressing tumor cells. CDC7, a serine/threonine kinase and cell division cycle protein, is overexpressed in a variety of cancers and plays a key role in the activation of DNA replication and the regulation of cell cycle progression
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Chemical Information
| Name | Simurosertib |
|---|---|
| Iupac Chemical Name | Thieno(3,2-d)pyrimidin-4(3H)-one, 2-(2S)-1-azabicyclo(2.2.2)oct-2-yl-6-(3-methyl-1H-pyrazol-4-yl)- |
| Synonyms | TAK-931; TAK 931; TAK931; Simurosertib. |
| Molecular Formula | C17H19N5OS |
| Molecular Weight | 341.433 |
| Smile | O=C1C2=C(C=C(C3=CNN=C3C)S2)N=C([C@H]4N(CC5)CCC5C4)N1 |
| InChiKey | XGVXKJKTISMIOW-ZDUSSCGKSA-N |
| 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 |
| CAS Number | 1330782-76-7 |
| Related CAS |
Ordering Information
| Packaging | Price | Availability | Purity | Shipping Time |
|---|---|---|---|---|
| Bulk | Enquiry | Enquiry | Enquiry |
| Formulation | Solid powder |
|---|---|
| Purity | 98% Min. |
| Storage | Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years). |
| Solubility | Soluble in DMSO |
| Handling | |
| Shipping Condition | Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs. |
| HS Code |
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| Mechanism | |
| Cell study | |
| Animal study | |
| Clinical study |
1: Kurasawa O, Miyazaki T, Homma M, Oguro Y, Imada T, Uchiyama N, Iwai K,
Yamamoto Y, Ohori M, Hara H, Sugimoto H, Iwata K, Skene R, Hoffman ID, Ohashi A,
Nomura T, Cho N. 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 Anti-Tumor Agent. J Med Chem. 2020
Jan 2. doi: 10.1021/acs.jmedchem.9b01427. [Epub ahead of print] PubMed PMID:
31895562.
2: Gad SA, Ali HEA, Gaballa R, Abdelsalam RM, Zerfaoui M, Ali HI, Salama SH,
Kenawy SA, Kandil E, Abd Elmageed ZY. Targeting CDC7 sensitizes resistance
melanoma cells to BRAF(V600E)-specific inhibitor by blocking the CDC7/MCM2-7
pathway. Sci Rep. 2019 Oct 2;9(1):14197. doi: 10.1038/s41598-019-50732-w. PubMed
PMID: 31578454; PubMed Central PMCID: PMC6775054.
3: Iwai K, Nambu T, Dairiki R, Ohori M, Yu J, Burke K, Gotou M, Yamamoto Y, Ebara
S, Shibata S, Hibino R, Nishizawa S, Miyazaki T, Homma M, Oguro Y, Imada T, Cho
N, Uchiyama N, Kogame A, Takeuchi T, Kurasawa O, Yamanaka K, Niu H, Ohashi A.
Molecular mechanism and potential target indication of TAK-931, a novel
CDC7-selective inhibitor. Sci Adv. 2019 May 22;5(5):eaav3660. doi:
10.1126/sciadv.aav3660. eCollection 2019 May. PubMed PMID: 31131319; PubMed
Central PMCID: PMC6531005.
Chemical Structure
