TC-S 7001

TC-S 7001
Identifiers
	IUPAC name 6-chloro-4-N-[3,5-difluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]pyrimidine-2,4-diamine;
CAS Number	867017-68-3;
PubChem CID	11524200;
ChemSpider	9698986;
ChEMBL	ChEMBL1971943;
Chemical and physical data
Formula	C18H13ClF2N6O
Molar mass	402.79 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC1=CNC2=NC=CC(=C12)OC3=C(C=C(C=C3F)NC4=CC(=NC(=N4)N)Cl)F;
	InChI InChI=1S/C18H13ClF2N6O/c1-8-7-24-17-15(8)12(2-3-23-17)28-16-10(20)4-9(5-11(16)21)25-14-6-13(19)26-18(22)27-14/h2-7H,1H3,(H,23,24)(H3,22,25,26,27); Key:NRSGWEVTVGZDFC-UHFFFAOYSA-N;

Short description: Chemical compound

TC-S 7001 (Azaindole-1) is a drug which acts as a potent and selective inhibitor of the enzyme Rho kinase, with an IC₅₀ of 0.6 nM at ROCK1 and 1.1 nM at ROCK2.^[1] It has vasodilatory effects and has been used in research for a variety of applications.^[2]^[3]^[4]

References

↑ "Cardiovascular effects of a novel potent and highly selective azaindole-based inhibitor of Rho-kinase". British Journal of Pharmacology 152 (7): 1070–80. December 2007. doi:10.1038/sj.bjp.0707484. PMID 17934515.
↑ "Therapeutic efficacy of azaindole-1 in experimental pulmonary hypertension". The European Respiratory Journal 36 (4): 808–18. October 2010. doi:10.1183/09031936.00140309. PMID 20530035.
↑ "The Rho kinase inhibitor azaindole-1 has long-acting vasodilator activity in the pulmonary vascular bed of the intact chest rat". Canadian Journal of Physiology and Pharmacology 90 (7): 825–35. July 2012. doi:10.1139/y2012-061. PMID 22591047.
↑ "The selective Rho-kinase inhibitor azaindole-1 has long-lasting erectile activity in the rat". Urology 81 (2): 465.e7–14. February 2013. doi:10.1016/j.urology.2012.10.039. PMID 23374844.

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[1] "Cardiovascular effects of a novel potent and highly selective azaindole-based inhibitor of Rho-kinase". British Journal of Pharmacology 152 (7): 1070–80. December 2007. doi:10.1038/sj.bjp.0707484. PMID 17934515.

[2] "Therapeutic efficacy of azaindole-1 in experimental pulmonary hypertension". The European Respiratory Journal 36 (4): 808–18. October 2010. doi:10.1183/09031936.00140309. PMID 20530035.

[3] "The Rho kinase inhibitor azaindole-1 has long-acting vasodilator activity in the pulmonary vascular bed of the intact chest rat". Canadian Journal of Physiology and Pharmacology 90 (7): 825–35. July 2012. doi:10.1139/y2012-061. PMID 22591047.

[4] "The selective Rho-kinase inhibitor azaindole-1 has long-lasting erectile activity in the rat". Urology 81 (2): 465.e7–14. February 2013. doi:10.1016/j.urology.2012.10.039. PMID 23374844.

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TC-S 7001

Topic: Chemistry

See also

References

Identifiers

IUPAC name 6-chloro-4-N-[3,5-difluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]pyrimidine-2,4-diamine
CAS Number	867017-68-3
PubChem CID	11524200
ChemSpider	9698986
ChEMBL	ChEMBL1971943
Chemical and physical data
Formula	C₁₈H₁₃ClF₂N₆O
Molar mass	402.79 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC1=CNC2=NC=CC(=C12)OC3=C(C=C(C=C3F)NC4=CC(=NC(=N4)N)Cl)F
InChI InChI=1S/C18H13ClF2N6O/c1-8-7-24-17-15(8)12(2-3-23-17)28-16-10(20)4-9(5-11(16)21)25-14-6-13(19)26-18(22)27-14/h2-7H,1H3,(H,23,24)(H3,22,25,26,27) Key:NRSGWEVTVGZDFC-UHFFFAOYSA-N