An internal standard for the quantification of cobicistat
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Unlabeled Version(s)
23433Cobicistat
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Cobicistat-d8

Item No. 26442

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
(3R,6R,9S)-12-methyl-13-[2-(1-methylethyl)-4-thiazolyl]-9-[2-(4-morpholinyl-d8)ethyl]-8,11-dioxo-3,6-bis(phenylmethyl)-2,7,10,12-tetraazatridecanoic acid, 5-thiazolylmethyl ester
CAS Number
2699607-48-0
Molecular Formula
C40H45D8N7O5S2
Formula Weight
784.1
Purity
≥99% deuterated forms (d1-d8)
Formulation
A solid
Solubility(Learn about Variance in Solubility)
DMF: 20 mg/mlDMSO: 20 mg/mlEthanol: 10 mg/ml
SMILES
O=C([C@H](CCN1C([2H])([2H])C([2H])([2H])OC([2H])([2H])C1([2H])[2H])NC(N(C)CC2=CSC(C(C)C)=N2)=O)N[C@H](CC[C@@H](NC(OCC3=CN=CS3)=O)CC4=CC=CC=C4)CC5=CC=CC=C5
InChi Code
InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1/i18D2,19D2,20D2,21D2
InChi Key
ZCIGNRJZKPOIKD-OZLZWQNVSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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    Product Description

    Cobicistat-d8 is intended for use as an internal standard for the quantification of cobicistat (Item No. 23433) by GC- or LC-MS. Cobicistat is an inhibitor of the cytochrome P450 (CYP) isomer CYP3A (IC50s = 30-285 nM for CYP3A metabolism of various HIV protease inhibitors).1 It is selective for CYP3A over other CYP isomers (IC50 = >25 μM for CYP1A2, 2C8, 2C9, and 2C19). Cobicistat does not inhibit HIV-1 protease (IC50 = >30 μM) or affect HIV replication in MT-2 cells (EC50 = >30 μM). Formulations containing cobicistat have been used to slow the metabolism of concomitantly administered protease inhibitors in the treatment of HIV.2

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Xu, L., Liu, H., Murray, B.P., et al. Cobicistat (GS-9350): A potent and selective inhibitor of human CYP3A as a novel pharmacoenhancer. ACS Med. Chem. Lett. 1(5), 209-213 (2010).

    2. Harris, M., Ganase, B., Watson, B., et al. HIV treatment simplification to elvitegravir/cobicistat/emtricitabine/tenofovir disproxil fumarate (E/C/F/TDF) plus darunavir: A pharmacokinetic study. AIDS Res. Ther. 14(1), 59 (2017).