Competitive price D-Pantethine supplier in China CAS NO.16816-67-4

We have 3 OEM factories, 2 R&D labs. Aily is striving to improve reseach and development, meet social and customers needs with a unifying strategic idea.

1. Introduction of D-Pantethine

D-Pantethine is a dimeric form of D-Pantothenic Acid, Sodium Salt, which acts as a precursor to Coenzyme A and acyl carrier proteins. It is known that the sulfhydryl group is the metabolically active part of the molecule. Coenzyme A is an essential cofactor in over 70 biological pathways such as fatty acid oxidation, carbohydrate metabolism, and amino acid catabolism. Studies conducted in vitro suggest that D-Pantethine inhibits the activity of aldehyde dehydrogenase, however related metabolites of the compound such as Taurine, D-pantetheine, Coenzyme A and D-pantothenate activate this enzyme.
 

2. Properties of D-Pantethine

Molecular Weight 554.72088 [g/mol]
Molecular Formula C22H42N4O8S2
XLogP3-AA -2.2
H-Bond Donor 8
H-Bond Acceptor 10
Rotatable Bond Count 19
Tautomer Count 10
Exact Mass 554.244406
MonoIsotopic Mass 554.244406
Topological Polar Surface Area 248
Heavy Atom Count 36
Complexity 652 
Defined Atom Stereocenter Count 2

3. Structure descriptors of D-Pantethine

IUPAC Name: (2R)-N-[3-[2-[2-[3-[[(2R)-2,4-dihydroxy-3,
3-dimethylbutanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-
oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamideInChI: InChI=1S/C22H42N4O8S2/c1-21(2,
13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20
(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,
30)(H,25,33)(H,26,34)/t17-,18-/m0/s1InChIKey: DJWYOLJPSHDSAL-ROUUACIJSA-NCanonical SMILES : CC(C)(CO)C(C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(C(C)(C)CO)O)OIsomeric SMILES: CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O)O