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Leukotriene B4-d4

CAT: 0804-HY-107608S-01Size: 10 μg (293.69 μM x 100 μL in Acetonitrile)Dry Ice: NoHazardous: No
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CAT#:0804-HY-107608S-01Size:10 μg (293.69 μM x 100 μL in Acetonitrile)
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Description
Leukotriene B4-d4 is the deuterium labeled Leukotriene B4. Leukotriene B4 (LTB4) is known as one of the most potent chemoattractants and activators of leukocytes and is involved in inflammatory diseases. Leukotriene B4 is also an alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1][2][3].
CAS Number
124629-74-9
Product Name Alternative
LTB4-d4; 5 (S),12 (R) -DiHETE-d4
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite; Leukotriene Receptor; PROTAC Linkers
Type
Isotope-Labeled Compounds
Related Pathways
GPCR/G Protein; Metabolic Enzyme/Protease; PROTAC
Field of Research
Cancer; Inflammation/Immunology
Concentration
293.69 μM * 100 μL in Acetonitrile
Purity
99.1
Solubility
10 mM in DMSO
Smiles
CCCCC/C([2H])=C([2H])\C[C@@H](O)/C=C/C=C/C([2H])=C([2H])\[C@@H](O)CCCC(O)=O
Molecular Formula
C20H28D4O4
Molecular Weight
340.49
Precautions
H302, H315, H319, H335
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562|[3]S.WCrooks, et al. Leukotriene B4. The International Journal of Biochemistry & Cell Biology Volume 30, Issue 2, 27 March 1998, Pages 173-178.|[4]Takehiko Yokomizo, et al. Leukotriene B4: Metabolism and Signal Transduction. Archives of Biochemistry and Biophysics Volume 385, Issue 2, 15 January 2001, Pages 231-241.
Shipping Conditions
Blue Ice
Storage Conditions
Solution, -20°C, 2 years
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Leukotriene B4-d4
CAS Number124629-74-9
PubChem CID16061113
IUPAC Name(5S,6Z,8E,10E,12R,14Z)-6,7,14,15-tetradeuterio-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
Molecular FormulaC20H32O4
Molecular Weight340.5
XLogP4.1
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Heavy Atom Count24
Formal Charge0
Complexity421
SMILES
[2H]/C(=C(\[2H])/C[C@H](/C=C/C=C/C(=C(/[2H])\[C@H](CCCC(=O)O)O)/[2H])O)/CCCCC
InChI
InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1/i6D,9D,11D,15D
InChIKey
VNYSSYRCGWBHLG-PHKHWAPOSA-N
Chemical Structure
2D Structure
2D structure of Leukotriene B4-d4
CAS: 124629-74-9
CID: 16061113
Formula: C20H32O4
MW: 340.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.5
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Exact Mass340.25516648
Monoisotopic Mass340.25516648
Topological Polar Surface Area77.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity421
Isotope Atom Count4
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-221844Leukotriene B4-d4
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101-M552Leukotriene B4 R1
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