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16816-67-4

16816-67-4 | D-Pantethine

CAS No: 16816-67-4 Catalog No: AG00388W MDL No:MFCD07357234

Product Description

Catalog Number:
AG00388W
Chemical Name:
D-Pantethine
CAS Number:
16816-67-4
Molecular Formula:
C22H42N4O8S2
Molecular Weight:
554.7209
MDL Number:
MFCD07357234
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-dimethylbutanamide
InChI:
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/s1
InChI Key:
DJWYOLJPSHDSAL-ROUUACIJSA-N
SMILES:
OCC([C@H](C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@@H](C(CO)(C)C)O)O)(C)C
EC Number:
240-842-8
UNII:
7K81IL792L

Properties

Complexity:
652  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
554.244g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
8  
Isotope Atom Count:
0
Molecular Weight:
554.718g/mol
Monoisotopic Mass:
554.244g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
248A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2  

Literature

Title Journal
Pantethine, a derivative of vitamin B5, favorably alters total, LDL and non-HDL cholesterol in low to moderate cardiovascular risk subjects eligible for statin therapy: a triple-blinded placebo and diet-controlled investigation. Vascular health and risk management 20140101
The role of nutraceutical supplements in the treatment of dyslipidemia. Journal of clinical hypertension (Greenwich, Conn.) 20120201
Impaired Coenzyme A metabolism affects histone and tubulin acetylation in Drosophila and human cell models of pantothenate kinase associated neurodegeneration. EMBO molecular medicine 20111201
Pantethine, a derivative of vitamin B(5) used as a nutritional supplement, favorably alters low-density lipoprotein cholesterol metabolism in low- to moderate-cardiovascular risk North American subjects: a triple-blinded placebo and diet-controlled investigation. Nutrition research (New York, N.Y.) 20110801
Comparison of the effects of pantethine and fursultiamine on plasma gastrointestinal peptide levels in healthy volunteers. Biological & pharmaceutical bulletin 20110101
Pantethine. Monograph. Alternative medicine review : a journal of clinical therapeutic 20100901
Enhancement of L-3-hydroxybutyryl-CoA dehydrogenase activity and circulating ketone body levels by pantethine. Relevance to dopaminergic injury. BMC neuroscience 20100101
Current medical aspects of pantethine. Ideggyogyaszati szemle 20090730
Topical apolipoprotein A-1 may have a beneficial effect on the corneal epithelium in a mouse model of dry eye: a pilot study. Eye & contact lens 20080901
An Arabidopsis mutant impaired in coenzyme A biosynthesis is sugar dependent for seedling establishment. Plant physiology 20060301
Dietary and nutraceutical options for managing the hypertriglyceridemic patient. Progress in cardiovascular nursing 20060101
Inhibition of acetyl-CoA carboxylase by cystamine may mediate the hypotriglyceridemic activity of pantethine. Medical hypotheses 20010301
Can drugs or micronutrients prevent cataract? Drugs & aging 20010101

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