1,3-Propanediol-d6

Modify Date: 2024-01-08 18:05:49

1,3-Propanediol-d6 Structure
1,3-Propanediol-d6 structure
Common Name 1,3-Propanediol-d6
CAS Number 284474-77-7 Molecular Weight 82.13140
Density N/A Boiling Point N/A
Molecular Formula C3H2D6O2 Melting Point N/A
MSDS Chinese USA Flash Point N/A

 Use of 1,3-Propanediol-d6


1,3-Propanediol-d6 is the deuterium labeled 1,3-Propanediol[1]. 1,3-Propanediol is produced in nature by the fermentation of glycerol in microorganism[2].

 Names

Name 1,3-propane-d6-diol
Synonym More Synonyms

 1,3-Propanediol-d6 Biological Activity

Description 1,3-Propanediol-d6 is the deuterium labeled 1,3-Propanediol[1]. 1,3-Propanediol is produced in nature by the fermentation of glycerol in microorganism[2].
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]. F. Barbirato, et al. Glycerol fermentation by a new 1,3-propanediol-producing microorganism:Enterobacter agglomerans. Applied Microbiology and Biotechnology volume 43, pages786-793(1995).

 Chemical & Physical Properties

Molecular Formula C3H2D6O2
Molecular Weight 82.13140
Exact Mass 82.09010
PSA 40.46000

 Synthetic Route

~56%

1,3-Propanediol-d6 Structure

1,3-Propanediol-d6

CAS#:284474-77-7

Literature: HEPTARES THERAPEUTICS LIMITED; BROWN, Giles Albert; CANSFIELD, Julie Elaine; CONGREVE, Miles Stuart; PICKWORTH, Mark; TEHAN, Benjamin Gerald Patent: WO2014/45031 A1, 2014 ; Location in patent: Page/Page column 57; 58 ;

~%

1,3-Propanediol-d6 Structure

1,3-Propanediol-d6

CAS#:284474-77-7

Literature: Sasanuma, Yuji; Ono, Tetsushi; Kuroda, Yoshihiko; Miyazaki, Emi; Hikino, Ken; Arou, Jun; Nakata, Kohji; Inaba, Hideaki; Tozaki, Ken-Ichi; Hayashi, Hideko; Yamaguchi, Kentaro Journal of Physical Chemistry B, 2004 , vol. 108, # 35 p. 13163 - 13176

 Precursor & DownStream

Precursor  1

DownStream  1

 Synonyms

1,3-propanediol-d6
1,1,2,2,3,3-hexadeuterio-propane-1,3-diol
d6-1,2-propanediol