CP-944629

CP-944629
Names
	Preferred IUPAC name 3-tert-Butyl-6-[4-(2,4,5-trifluorophenyl)-1,3-oxazol-5-yl][1,2,4]triazolo[4,3-a]pyridine
Identifiers
CAS Number	668990-94-1 ;
3D model (JSmol)	Interactive image;
ChEMBL	ChEMBL212968;
ChemSpider	8174923;
PubChem CID	9999342;
UNII	KB2ZD36HED ;
CompTox Dashboard (EPA)	DTXSID1057876;
	InChI InChI=1S/C19H15F3N4O/c1-19(2,3)18-25-24-15-5-4-10(8-26(15)18)17-16(23-9-27-17)11-6-13(21)14(22)7-12(11)20/h4-9H,1-3H3 Key: VNZJNPIWZYMGAO-UHFFFAOYSA-N;
	SMILES CC(C)(C)C1=NN=C2N1C=C(C=C2)C3=C(N=CO3)C4=CC(=C(C=C4F)F)F;
Properties
Chemical formula	C19H15F3N4O
Molar mass	372.351 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

CP-944629, also known as 5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(2,4,5-trifluorophenyl)-1,3-oxazole (IUPAC name),^[1] is a small molecule that is predicted to block DNA transcription by inhibiting DNA topoisomerase.^[2]^[3]

CP-944629 is thought to have anti-tumor activities.^[3] CP-944629 is assumed to be a MAPK14 (mitogen-activated protein kinase 14 (human)) inhibitor^[1] and a p38alpha inhibitor.^[4]

References

^ ^a ^b PubChem. "1,2,4-Triazolo[4,3-A]pyridine, 3-(1,1-dimethylethyl)-6-[4-(2,4,5-trifluorophenyl)-5-oxazolyl]-". pubchem.ncbi.nlm.nih.gov. U.S. National Library of Medicine. Retrieved 2019-10-01.
^ "Gene Set - CP-944629-7497". amp.pharm.mssm.edu. New York City, U.S.: Icahn School of Medicine at Mount Sinai. Retrieved 2019-10-05.
^ ^a ^b Chung, Feng-Hsiang; Jin, Zhen-Hua; Hsu, Tzu-Ting; Hsu, Chueh-Lin; Liu, Hsueh-Chuan; Lee, Hoong-Chien (2015-10-16). "Gene-Set Local Hierarchical Clustering (GSLHC)—A Gene Set-Based Approach for Characterizing Bioactive Compounds in Terms of Biological Functional Groups". PLOS ONE. 10 (10): e0139889. Bibcode:2015PLoSO..1039889C. doi:10.1371/journal.pone.0139889. ISSN 1932-6203. PMC 4652590. PMID 26473729.
^ "CP-944629 | CAS#668990-94-1 | p38α Inhibitor | MedKoo". www.medkoo.com. Retrieved 2019-10-01.

[:1-1] PubChem. "1,2,4-Triazolo[4,3-A]pyridine, 3-(1,1-dimethylethyl)-6-[4-(2,4,5-trifluorophenyl)-5-oxazolyl]-". pubchem.ncbi.nlm.nih.gov. U.S. National Library of Medicine. Retrieved 2019-10-01.

[2] "Gene Set - CP-944629-7497". amp.pharm.mssm.edu. New York City, U.S.: Icahn School of Medicine at Mount Sinai. Retrieved 2019-10-05.

[:0-3] Chung, Feng-Hsiang; Jin, Zhen-Hua; Hsu, Tzu-Ting; Hsu, Chueh-Lin; Liu, Hsueh-Chuan; Lee, Hoong-Chien (2015-10-16). "Gene-Set Local Hierarchical Clustering (GSLHC)—A Gene Set-Based Approach for Characterizing Bioactive Compounds in Terms of Biological Functional Groups". PLOS ONE. 10 (10): e0139889. Bibcode:2015PLoSO..1039889C. doi:10.1371/journal.pone.0139889. ISSN 1932-6203. PMC 4652590. PMID 26473729.

[4] "CP-944629 | CAS#668990-94-1 | p38α Inhibitor | MedKoo". www.medkoo.com. Retrieved 2019-10-01.

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Names

Preferred IUPAC name 3-tert-Butyl-6-[4-(2,4,5-trifluorophenyl)-1,3-oxazol-5-yl][1,2,4]triazolo[4,3-a]pyridine
Identifiers
CAS Number	668990-94-1^N
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL212968
ChemSpider	8174923
PubChem CID	9999342
UNII	KB2ZD36HED^Y
CompTox Dashboard (EPA)	DTXSID1057876
InChI InChI=1S/C19H15F3N4O/c1-19(2,3)18-25-24-15-5-4-10(8-26(15)18)17-16(23-9-27-17)11-6-13(21)14(22)7-12(11)20/h4-9H,1-3H3 Key: VNZJNPIWZYMGAO-UHFFFAOYSA-N
SMILES CC(C)(C)C1=NN=C2N1C=C(C=C2)C3=C(N=CO3)C4=CC(=C(C=C4F)F)F
Properties
Chemical formula	C₁₉H₁₅F₃N₄O
Molar mass	372.351 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