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Leukotriene D4-d5

CAT: 0804-HY-113456SSize: 25 μg (199.33 μM x 250 μL in Ethanol)Dry Ice: NoHazardous: No
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CAT#:0804-HY-113456SSize:25 μg (199.33 μM x 250 μL in Ethanol)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Leukotriene D4-d5 is the deuterium labeled Leukotriene D4. Leukotriene D4 is one of the constituents of slow-reacting substance of anaphylaxis (SRS-A) produced by the metabolism of LTC4 by γ-glutamyl transpeptidase. Leukotriene D4 is the first cysteinyl-leukotriene metabolite of LTC4. Leukotriene D4-induced bronchoconstriction and enhanced vascular permeability contribute to the pathogenesis of asthma and acute hypersensitivity.
CAS Number
1240398-17-7
UNSPSC
12352211
Target
Drug Metabolite; Endogenous Metabolite; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Inflammation/Immunology; Cardiovascular Disease
Concentration
199.33 μM * 250 μL in Ethanol
Purity
98.4
Solubility
10 mM in DMSO
Smiles
N[C@@H](CS[C@H](/C=C/C=C/C=C\C/C=C\CCCC([2H])(C([2H])([2H])[2H])[2H])[C@H](CCCC(O)=O)O)C(NCC(O)=O)=O
Molecular Formula
C25H35D5N2O6S
Molecular Weight
501.69
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.
Shipping Conditions
Blue Ice
Storage Conditions
Solution, -20°C, 2 years
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Leukotriene D4-d5
CAS Number1240398-17-7
PubChem CID126456002
IUPAC Name(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-19,19,20,20,20-pentadeuterio-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Molecular FormulaC25H40N2O6S
Molecular Weight501.7
XLogP1.4
Topological Polar Surface Area175
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count20
Heavy Atom Count34
Formal Charge0
Complexity706
SMILES
[2H]C([2H])([2H])C([2H])([2H])CCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)N
InChI
InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1/i1D3,2D2
InChIKey
YEESKJGWJFYOOK-HXHZKDJLSA-N
Chemical Structure
2D Structure
2D structure of Leukotriene D4-d5
CAS: 1240398-17-7
CID: 126456002
Formula: C25H40N2O6S
MW: 501.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight501.7
XLogP31.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count20
Exact Mass501.29209190
Monoisotopic Mass501.29209190
Topological Polar Surface Area175 Ų
Heavy Atom Count34
Formal Charge0
Complexity706
Isotope Atom Count5
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-113465SLeukotriene E4-d5
HY-107608S-01Leukotriene B4-d4
HY-W747563-0111-trans Leukotriene D4
HY-13749314,15-Leukotriene D4
HY-75958S1-01Vitamin D4-d5
HY-126716SLeukotriene C4-d5 methyl ester
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Alternative Products

CatalogName
453665-01Leukotriene D4-d5
sc-295357Leukotriene D5
BML-LD004-0050Leukotriene D4
sc-221849Leukotriene E4-d5
TRC-L473497-10MGLTD5 (Leukotriene D5)
453664-01Leukotriene C4-d5
sc-221844ALeukotriene B4-d4
TRC-L473493-10MGLTD4 (Leukotriene D4)
ADA2906414,15-Leukotriene d4
T37493-0111-trans Leukotriene D4

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