An internal standard for the quantification of bosentan
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Unlabeled Version(s)
11731Bosentan
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Bosentan-d4

Item No. 22097

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy-1,1,2,2-d4)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-benzenesulfonamide
CAS Number
1065472-77-6
Molecular Formula
C27H25D4N5O6S
Formula Weight
555.6
Purity
≥99% deuterated forms (d1-d4)
Formulation
A solid
Solubility(Learn about Variance in Solubility)
Chloroform: solubleEthanol: solubleMethanol: Soluble
SMILES
COC1=CC=CC=C1OC2=C(NS(C3=CC=C(C(C)(C)C)C=C3)(=O)=O)N=C(C4=NC=CC=N4)N=C2OC([2H])([2H])C([2H])([2H])O
InChi Code
InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)/i16D2,17D2
InChi Key
GJPICJJJRGTNOD-RZOBCMOLSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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    5 mg

    $303

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    25 mg

    $1,061

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    Product Description

    Bosentan-d4 is an internal standard for the quantification of bosentan (Item No. 11731) by GC- or LC-MS. Bosentan is an antagonist of the endothelin receptors type A (Ki = 6.5 nM) and type B (Ki = 340 nM).1,2

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Jae, H.S., Winn, M., Dixon, D.B., et al. Pyrrolidine-3-carboxylic acids as endothelin antagonists. 2. Sulfonamide-based ETA/ETB mixed antagonists. J. Med. Chem. 40(20), 3217-3227 (1997).

    2. Wu, C., Decker, E.R., Blok, H., et al. Discovery, modeling, and human pharmacokinetics of N-(2-acetyl-4,6-dimethylphenyl)-3-(3,4-dimethylisoxazol-5-ylsulfamoyl)-thiophene-2-carboxamide (TBC3711), a second generation, ETA selective, and orally bioavailable endothelin antagonist. J. Med. Chem. 47(8), 1969-1986 (2004).