93951-88-3

93951-88-3 structure

Name: Benzyl butyl phthalate-d4
Chemical Name: 2-O-benzyl 1-O-butyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
CAS Number: 93951-88-3
Molecular Formula: C₁₉H₁₆D₄O₄
Molecular Weight: 316.38400
Catalog: Signaling Pathways Immunology/Inflammation Aryl Hydrocarbon Receptor
Create Date: 2018-12-31 19:40:38
Modify Date: 2024-01-14 10:04:15
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].

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

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	Research Areas >> Cancer Signaling Pathways >> Immunology/Inflammation >> Aryl Hydrocarbon Receptor
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.

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

Symbol	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

93951-88-3	85-68-7
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