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Butyl benzoate

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Specification

Cat. No.

SMD476

Related Diseases

Autism

Product Name

Butyl benzoate

Size

25.0g

Price

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Availability

2 Weeks

Description

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.

CAS Number

136-60-7

Chemical Formula

C11H14O2

Exact Mass

178.0994

Molecular Weight

178.23

Elemental Analysis

C, 74.13; H, 7.92; O, 17.95

Synonym

Butyl benzoate; Benzoic acid, butyl ester; HSDB 2089; BRN 1867073; NSC 8474; AI3-00521;

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

All of our services and products are intended for preclinical research use only and cannot be used to diagnose, treat or manage patients.