Butyl benzoate

Butyl benzoate as involatile solvent, for sampling of isocyanates with silica gel solid phase extraction. Butyl benzoate has been used as preservative in commercial cosmetic lotions. 3-(tert-Butyl)-4-hydroxyphenyl 2,4-dichlorobenzoate (1) was discovered as a moderate FXR antagonist. To improve the potency and the stability of the hit 1, forty derivatives were synthesized and SAR was systematically explored. The results turn out that replacing the 2,4-dichlorophenyl with 2,6-dichloro-4-amidophenyl shows great improvement in potency, replacing the benzoate with benzamide shows improvement in stability and slight declining of potency and 3-(tert-butyl)-4-hydroxyphenyl unit is essential in obtaining the FXR antagonistic activity.

• Supplier: Ace Therapeutics
• Product #: SMD476
• CAS #: 136-60-7
• Synonym: Butyl benzoate; Benzoic acid, butyl ester; HSDB 2089; BRN 1867073; NSC 8474; AI3-00521
• Product Category: Lab-use Small Molecule Drugs
• Chemical Formula: C11H14O2
• Exact Mass: 178.0994
• Molecular Weight: 178.23
• Elemental Analysis: C, 74.13; H, 7.92; O, 17.95
• IUPAC/Chemical Name: butyl benzoate
• InChi Key: XSIFPSYPOVKYCO-UHFFFAOYSA-N
• InChi Code: InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
• SMILES Code: c1(C(OCCCC)=O)ccccc1
• Appearance: Solid powder
• Purity: >98% (or refer to the Certificate of Analysis)
• Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
• Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
• Solubility: Soluble in DMSO
• Shelf Life: >2 years if stored properly
• Drug Formulation: This drug may be formulated in DMSO
• Stock Solution Storage: 0 - 4℃ for short term (days to weeks), or -20℃ for long term (months).
• HS Tariff Code: 2934.99.9001
• Availability: 2 Weeks