Benzyl butyl phthalate-d4

Modify Date: 2024-01-14 10:04:15

Benzyl butyl phthalate-d4 Structure
Benzyl butyl phthalate-d4 structure
Common Name Benzyl butyl phthalate-d4
CAS Number 93951-88-3 Molecular Weight 316.38400
Density 1.114 g/mL at 25ºC Boiling Point N/A
Molecular Formula C19H16D4O4 Melting Point N/A
MSDS N/A Flash Point 113ºC
Symbol GHS08 GHS09
GHS08, GHS09
Signal Word Danger

 Use of Benzyl butyl phthalate-d4


Benzyl butyl phthalate-d4 is the deuterium labeled Benzyl butyl phthalate[1]. Benzyl butyl phthalate, a member of phthalic acid esters (PAEs), can trigger the migration and invasion of hemangioma (HA) cells via upregulation of Zeb1. Benzyl butyl phthalate activates aryl hydrocarbon receptor (AhR) in breast cancer cells to stimulate SPHK1/S1P/S1PR3 signaling and enhances formation of metastasis-initiating breast cancer stem cells (BCSCs)[2][3][4].

 Names

Name 2-O-benzyl 1-O-butyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Synonym More Synonyms

 Benzyl butyl phthalate-d4 Biological Activity

Description Benzyl butyl phthalate-d4 is the deuterium labeled Benzyl butyl phthalate[1]. Benzyl butyl phthalate, a member of phthalic acid esters (PAEs), can trigger the migration and invasion of hemangioma (HA) cells via upregulation of Zeb1. Benzyl butyl phthalate activates aryl hydrocarbon receptor (AhR) in breast cancer cells to stimulate SPHK1/S1P/S1PR3 signaling and enhances formation of metastasis-initiating breast cancer stem cells (BCSCs)[2][3][4].
Related Catalog
In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.  

[2]. Sun G, et al. Developmental toxicity and cardiac effects of butyl benzyl phthalate in zebrafish embryos. Aquat Toxicol. 2017;192:165-170.  

[3]. Cui S, et al. Benzyl butyl phthalate (BBP) triggers the migration and invasion of hemangioma cells via upregulation of Zeb1. Toxicol In Vitro. 2019;60:323-329.  

[4]. Wang YC, et al. Benzyl butyl phthalate promotes breast cancer stem cell expansion via SPHK1/S1P/S1PR3 signaling. Oncotarget. 2016;7(20):29563-29576.  

 Chemical & Physical Properties

Density 1.114 g/mL at 25ºC
Molecular Formula C19H16D4O4
Molecular Weight 316.38400
Flash Point 113ºC
Exact Mass 316.16100
PSA 52.60000
LogP 4.00050
Storage condition 2-8°C

 Safety Information

Symbol GHS08 GHS09
GHS08, GHS09
Signal Word Danger
Hazard Statements H360Df-H410
Precautionary Statements P201-P273-P308 + P313-P501
Hazard Codes T: Toxic;N: Dangerous for the environment;
Risk Phrases R61
Safety Phrases 53-45-60-61
RIDADR UN 3082 9/PG 3

 Synonyms

BBP-d4
Spatozoate-d4
Diacizer D 160-d4
Benzyl butyl phthalate-3,4,5,6-d4
Unimoll BB-d4
Santicizer 160-d4
Santicizer C 160-d4
Palatinol BB-d4
Santicizer S 106-d4