CAS Number112809-51-5
Synonyms4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis(benzonitrile); Letrozol; Letoval; 5-[Bis(4-methylphenyl)methyl]-1H-1,2,4-triazole; 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bisbenzonitrile; Femera; MFCD00866241; 4,4'-((1H-1,2,4-Triazol-1-yl)methylene)dibenzonitrile; 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile; Femara; Letrozole
Molecular FormulaC17H11N5
Molecular Weight285.30
Purity≥98 (HPLC)%
Density1.1±0.1 g/cm3
Boiling Point472.0±55.0 °C at 760 mmHg
Melting Point181-183ºC
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 112809-51-5 |
| Catalog No. | 2A-9011156 |
| Chinese Name | 来曲唑 |
| Synonyms | 4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis(benzonitrile); Letrozol; Letoval; 5-[Bis(4-methylphenyl)methyl]-1H-1,2,4-triazole; 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bisbenzonitrile; Femera; MFCD00866241; 4,4'-((1H-1,2,4-Triazol-1-yl)methylene)dibenzonitrile; 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile; Femara; Letrozole |
| Molecular Formula | C17H11N5 |
| Molecular Weight | 285.30 |
| Purity | ≥98 (HPLC) |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 472.0±55.0 °C at 760 mmHg |
| Melting Point | 181-183ºC |
| Appearance | powder |
| Storage Condition | -20°C Freezer |
| Application | Letrozole is an aromatase inhibitor with an IC50 of 1-13 nM. |
| HTC | 2933990090 |
| PubChem ID | 329817641 |
| MDL Number | MFCD00866241 |
| SMILES | N#CC(C=C1)=CC=C1C(N2C=NC=N2)C3=CC=C(C#N)C=C3 |
| InChI | 1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H |
| InChI Key | HPJKCIUCZWXJDR-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 51111800 |
| MSDS | msds/11156_1_112809_51_5.pdf |
| Bioactivity | Letrozole is an aromatase inhibitor with an IC50 of 1-13 nM. Related Catalog Signaling Pathways >> Others >> Aromatase Signaling Pathways >> Autophagy >> Autophagy Research Areas >> Cancer References [1]. Haynes, B.P., et al., The pharmacology of letrozole. J Steroid Biochem Mol Biol, 2003. 87(1): p. 35-45. [2]. Bhatnagar, A.S., et al., Highly selective inhibition of estrogen biosynthesis by CGS 20267, a new non-steroidal aromatase inhibitor. J Steroid Biochem Mol Biol, 1990. 37(6): p. 1021-7. [3]. Dellapasqua, S. and M. Colleoni, Letrozole. Expert Opin Drug Metab Toxicol, 2010. 6(2): p. 251-9. [4]. Lee, K., et al., An in vivo model of intratumoural aromatase using aromatase-transfected MCF7 human breast cancer cells. Int J Cancer, 1995. 62(3): p. 297-302. Chemical & Physical Properties Density 1.1±0.1 g/cm3 Boiling Point 472.0±55.0 °C at 760 mmHg Melting Point 181-183ºC Molecular Formula C17H11N5 Molecular Weight 263.337 Flash Point 214.2±24.5 °C Exact Mass 263.142242 PSA 78.29000 LogP 3.70 Vapour Pressure 0.0±1.2 mmHg at 25°C Index of Refraction 1.615 InChIKey HPJKCIUCZWXJDR-UHFFFAOYSA-N SMILES N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1 Storage condition -20°C Freezer |
| Use of | Letrozole is an aromatase inhibitor with an IC50 of 1-13 nM. Properties Articles104 Name Letrozole Synonym More Synonyms Letrozole Biological Activity Description Letrozole is an aromatase inhibitor with an IC50 of 1-13 nM. Related Catalog Signaling Pathways >> Others >> Aromatase Signaling Pathways >> Autophagy >> Autophagy Research Areas >> Cancer References [1]. Haynes, B.P., et al., The pharmacology of letrozole. J Steroid Biochem Mol Biol, 2003. 87(1): p. 35-45. [2]. Bhatnagar, A.S., et al., Highly selective inhibition of estrogen biosynthesis by CGS 20267, a new non-steroidal aromatase inhibitor. J Steroid Biochem Mol Biol, 1990. 37(6): p. 1021-7. [3]. Dellapasqua, S. and M. Colleoni, Letrozole. Expert Opin Drug Metab Toxicol, 2010. 6(2): p. 251-9. [4]. Lee, K., et al., An in vivo model of intratumoural aromatase using aromatase-transfected MCF7 human breast cancer cells. Int J Cancer, 1995. 62(3): p. 297-302. Chemical & Physical Properties Molecular Formula C17H11N5 Exact Mass 263.142242 PSA 78.29000 Index of Refraction 1.615 InChIKey HPJKCIUCZWXJDR-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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