KL-50

KL-50
Identifiers
CAS Number	1161826-19-2;
3D model (JSmol)	Interactive image;
	InChI InChI=1S/C7H7FN6O2/c8-1-2-14-7(16)13-3-10-4(5(9)15)6(13)11-12-14/h3H,1-2H2,(H2,9,15) Key: RXJOSBAVDXNQEY-UHFFFAOYSA-N;
	SMILES FCCN1N=NC2=C(C(=O)N)N=CN2C(=O)1;
Properties
Chemical formula	C7H7FN6O2
Molar mass	226.171 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

KL-50 is a drug candidate designed to treat glioblastoma. It functions by alkylating DNA yielding O6-(2-fluoroethyl)guanine which causes DNA interstrand crosslinks. Half of the cancers are unable to repair the DNA damage.^[1]^[2]^[3]^[4]

References

^ Huseman, Eric; Lo, Anna; Fedorova, Olga; Elia, James; Gueble, Susan; Lin, Kingson; Sundaram, Ranjini; Burgenske, Danielle; Oh, Joonseok; Liu, Jinchan; Menges, Fabian; Rees, Matthew; Ronan, Melissa; Roth, Jennifer; Batista, Victor; Crawford, Jason; Sarkaria, Jann; Pyle, Anna; Bindra, Ranjit; Herzon, Seth (2023). "Mechanism of Action of KL-50, a Novel Imidazotetrazine for the Treatment of Drug-Resistant Brain Cancers". ChemRxiv. doi:10.26434/chemrxiv-2023-zwj94.
^ Huseman, Eric D.; Lo, Anna; Fedorova, Olga; Elia, James L.; Gueble, Susan E.; Lin, Kingson; Sundaram, Ranjini K.; Oh, Joonseok; Liu, Jinchan; Menges, Fabian; Rees, Matthew G.; Ronan, Melissa M.; Roth, Jennifer A.; Batista, Victor S.; Crawford, Jason M.; Pyle, Anna M.; Bindra, Ranjit S.; Herzon, Seth B. (30 May 2024). "Mechanism of Action of KL-50, a Candidate Imidazotetrazine for the Treatment of Drug-Resistant Brain Cancers". Journal of the American Chemical Society. doi:10.1021/jacs.3c06483. PMID 38815248.
^ "Slow and steady action makes brain cancer drug candidate more selective". Chemical & Engineering News.
^ Leslie, Mitch (2 November 2022). "New Strategy May Thwart Glioblastoma Resistance". Cancer Discovery. 12 (11): 2488–2489. doi:10.1158/2159-8290.CD-NB2022-0055.

[1] Huseman, Eric; Lo, Anna; Fedorova, Olga; Elia, James; Gueble, Susan; Lin, Kingson; Sundaram, Ranjini; Burgenske, Danielle; Oh, Joonseok; Liu, Jinchan; Menges, Fabian; Rees, Matthew; Ronan, Melissa; Roth, Jennifer; Batista, Victor; Crawford, Jason; Sarkaria, Jann; Pyle, Anna; Bindra, Ranjit; Herzon, Seth (2023). "Mechanism of Action of KL-50, a Novel Imidazotetrazine for the Treatment of Drug-Resistant Brain Cancers". ChemRxiv. doi:10.26434/chemrxiv-2023-zwj94.

[2] Huseman, Eric D.; Lo, Anna; Fedorova, Olga; Elia, James L.; Gueble, Susan E.; Lin, Kingson; Sundaram, Ranjini K.; Oh, Joonseok; Liu, Jinchan; Menges, Fabian; Rees, Matthew G.; Ronan, Melissa M.; Roth, Jennifer A.; Batista, Victor S.; Crawford, Jason M.; Pyle, Anna M.; Bindra, Ranjit S.; Herzon, Seth B. (30 May 2024). "Mechanism of Action of KL-50, a Candidate Imidazotetrazine for the Treatment of Drug-Resistant Brain Cancers". Journal of the American Chemical Society. doi:10.1021/jacs.3c06483. PMID 38815248.

[3] "Slow and steady action makes brain cancer drug candidate more selective". Chemical & Engineering News.

[4] Leslie, Mitch (2 November 2022). "New Strategy May Thwart Glioblastoma Resistance". Cancer Discovery. 12 (11): 2488–2489. doi:10.1158/2159-8290.CD-NB2022-0055.

[1]

[2]

[3]

[4]

Identifiers

CAS Number	1161826-19-2
3D model (JSmol)	Interactive image
InChI InChI=1S/C7H7FN6O2/c8-1-2-14-7(16)13-3-10-4(5(9)15)6(13)11-12-14/h3H,1-2H2,(H2,9,15) Key: RXJOSBAVDXNQEY-UHFFFAOYSA-N
SMILES FCCN1N=NC2=C(C(=O)N)N=CN2C(=O)1
Properties
Chemical formula	C₇H₇FN₆O₂
Molar mass	226.171 g·mol⁻¹
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references