User:Insect.eate/sandbox

Insect.eate/sandbox
Clinical data
Routes of; administration	Oral
ATC code	none;
Legal status
Legal status	In general: unscheduled;
Identifiers
	IUPAC name 2-[5-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl]-1,5-naphthyridine;
CAS Number	446859-33-2 ;
PubChem CID	449054;
ChemSpider	395681;
UNII	JT8ZW3H2ST;
Chemical and physical data
Formula	C17H13N5
Molar mass	287.326 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC1=NC(=CC=C1)C2=C(C=NN2)C3=NC4=C(C=C3)N=CC=C4;
	InChI InChI=InChI=1S/C17H13N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-10H,1H3,(H,19,22); Key:LBPKYPYHDKKRFS-UHFFFAOYSA-N;

RepSox is a small molecule inhibitor of TGFβRI,^[1]^[2] also known as ALK5. It inhibits receptor autophosphorylation by preventing binding with ATP, inhibits receptor binding with TGF-β, and prevents the transcription of genes activated by ALK5.^[3]

Research

RepSox is included as a part of some chemical cocktails intended for cellular reprogramming and anti-aging.^[4]

^ Mei, Liangwei; Sang, Wenhua; Chen, Zhenzhong; Zheng, Lin; Jin, Kangtao; Lou, Chao; Huang, Wenjun; He, Dengwei (December 2018). "Small molecule inhibitor RepSox prevented ovariectomy-induced osteoporosis by suppressing osteoclast differentiation and bone resorption". Journal of Cellular Physiology. 233 (12): 9724–9738. doi:10.1002/jcp.26914. ISSN 1097-4652.
^ Mishra, Tarun; Bhardwaj, Vipin; Ahuja, Neha; Gadgil, Pallavi; Ramdas, Pavitra; Shukla, Sanjeev; Chande, Ajit (8 March 2022). "Improved loss-of-function CRISPR-Cas9 genome editing in human cells concomitant with inhibition of TGF-β signaling". Molecular Therapy. Nucleic Acids. 28: 202–218. doi:10.1016/j.omtn.2022.03.003. ISSN 2162-2531.
^ Gellibert, Françoise; Woolven, James; Fouchet, Marie-Hélène; Mathews, Neil; Goodland, Helen; Lovegrove, Victoria; Laroze, Alain; Nguyen, Van-Loc; Sautet, Stéphane; Wang, Ruolan; Janson, Cheryl; Smith, Ward; Krysa, Gaël; Boullay, Valérie; De Gouville, Anne-Charlotte; Huet, Stéphane; Hartley, David (26 August 2004). "Identification of 1,5-naphthyridine derivatives as a novel series of potent and selective TGF-beta type I receptor inhibitors". Journal of Medicinal Chemistry. 47 (18): 4494–4506. doi:10.1021/jm0400247. ISSN 0022-2623.
^ Knyazer, Anna; Bunu, Gabriela; Toren, Dmitri; Mracica, Teodora Bucaciuc; Segev, Yael; Wolfson, Marina; Muradian, Khachik K.; Tacutu, Robi; Fraifeld, Vadim E. (17 December 2021). "Small molecules for cell reprogramming: a systems biology analysis". Aging (Albany NY). 13 (24): 25739–25762. doi:10.18632/aging.203791. ISSN 1945-4589.

[1] Mei, Liangwei; Sang, Wenhua; Chen, Zhenzhong; Zheng, Lin; Jin, Kangtao; Lou, Chao; Huang, Wenjun; He, Dengwei (December 2018). "Small molecule inhibitor RepSox prevented ovariectomy-induced osteoporosis by suppressing osteoclast differentiation and bone resorption". Journal of Cellular Physiology. 233 (12): 9724–9738. doi:10.1002/jcp.26914. ISSN 1097-4652.

[2] Mishra, Tarun; Bhardwaj, Vipin; Ahuja, Neha; Gadgil, Pallavi; Ramdas, Pavitra; Shukla, Sanjeev; Chande, Ajit (8 March 2022). "Improved loss-of-function CRISPR-Cas9 genome editing in human cells concomitant with inhibition of TGF-β signaling". Molecular Therapy. Nucleic Acids. 28: 202–218. doi:10.1016/j.omtn.2022.03.003. ISSN 2162-2531.

[3] Gellibert, Françoise; Woolven, James; Fouchet, Marie-Hélène; Mathews, Neil; Goodland, Helen; Lovegrove, Victoria; Laroze, Alain; Nguyen, Van-Loc; Sautet, Stéphane; Wang, Ruolan; Janson, Cheryl; Smith, Ward; Krysa, Gaël; Boullay, Valérie; De Gouville, Anne-Charlotte; Huet, Stéphane; Hartley, David (26 August 2004). "Identification of 1,5-naphthyridine derivatives as a novel series of potent and selective TGF-beta type I receptor inhibitors". Journal of Medicinal Chemistry. 47 (18): 4494–4506. doi:10.1021/jm0400247. ISSN 0022-2623.

[4] Knyazer, Anna; Bunu, Gabriela; Toren, Dmitri; Mracica, Teodora Bucaciuc; Segev, Yael; Wolfson, Marina; Muradian, Khachik K.; Tacutu, Robi; Fraifeld, Vadim E. (17 December 2021). "Small molecules for cell reprogramming: a systems biology analysis". Aging (Albany NY). 13 (24): 25739–25762. doi:10.18632/aging.203791. ISSN 1945-4589.

[1]

[2]

[3]

[4]

Clinical data

Routes of administration	Oral
ATC code	none
Legal status
Legal status	In general: unscheduled
Identifiers
IUPAC name 2-[5-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl]-1,5-naphthyridine
CAS Number	446859-33-2^Y
PubChem CID	449054
ChemSpider	395681
UNII	JT8ZW3H2ST
Chemical and physical data
Formula	C₁₇H₁₃N₅
Molar mass	287.326 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC1=NC(=CC=C1)C2=C(C=NN2)C3=NC4=C(C=C3)N=CC=C4
InChI InChI=InChI=1S/C17H13N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-10H,1H3,(H,19,22) Key:LBPKYPYHDKKRFS-UHFFFAOYSA-N