Cobicistat (GS-9350)Selective CYP3A inhibitor CAS# 1004316-88-4 |
Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
| Cas No. | 1004316-88-4 | SDF | Download SDF |
| PubChem ID | 25151504 | Appearance | Powder |
| Formula | C40H53N7O5S2 | M.Wt | 776.02 |
| Type of Compound | N/A | Storage | Desiccate at -20°C |
| Solubility | DMSO : 100 mg/mL (128.86 mM; Need ultrasonic) | ||
| Chemical Name | 1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-[[(2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate | ||
| SMILES | CC(C)C1=NC(=CS1)CN(C)C(=O)NC(CCN2CCOCC2)C(=O)NC(CCC(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5 | ||
| Standard InChIKey | ZCIGNRJZKPOIKD-CQXVEOKZSA-N | ||
| Standard InChI | 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 | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
||
| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
||
| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
Cobicistat (GS-9350) Dilution Calculator
Cobicistat (GS-9350) Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 1.2886 mL | 6.4431 mL | 12.8863 mL | 25.7725 mL | 32.2157 mL |
| 5 mM | 0.2577 mL | 1.2886 mL | 2.5773 mL | 5.1545 mL | 6.4431 mL |
| 10 mM | 0.1289 mL | 0.6443 mL | 1.2886 mL | 2.5773 mL | 3.2216 mL |
| 50 mM | 0.0258 mL | 0.1289 mL | 0.2577 mL | 0.5155 mL | 0.6443 mL |
| 100 mM | 0.0129 mL | 0.0644 mL | 0.1289 mL | 0.2577 mL | 0.3222 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
Calcutta University
University of Minnesota
University of Maryland School of Medicine
University of Illinois at Chicago
The Ohio State University
University of Zurich
Harvard University
Colorado State University
Auburn University
Yale University
Worcester Polytechnic Institute
Washington State University
Stanford University
University of Leipzig
Universidade da Beira Interior
The Institute of Cancer Research
Heidelberg University
University of Amsterdam
University of Auckland
TsingHua University
The University of Michigan
Miami University
DRURY University
Jilin University
Fudan University
Wuhan University
Sun Yat-sen University
Universite de Paris
Deemed University
Auckland University
The University of Tokyo
Korea University
Cobicistat is a selective inhibitor of cytochrome P450 (CYP) 3A enzymes with IC50 values ranging from 0.03 to 0.285μM [1].
Cobicistat is a selective CYP3A inhibitor without intrinsic anti-HIV activity and is indicated in EU as a pharmacokinetic enhancer of the HIV-1 protease inhibitors atazanavir and darunavir in adults. Cobicistat is also developed to form a fixed-dose tablet in combination with elvitegravir, emtricitabine and TDF. Cobicistat inhibits CYP3A in vitro across a variety of substrates with IC50 values ranging from 0.03 to 0.285μM. Cobicistat is absorbed rapidly after oral administration in patients infected with HIV-1 with the Cmax of 1.2μg/ml. In the 48-week analysis of the phase III study, once-daily oral cobicistat is generally well tolerated. The tolerability of the cobicistat-boosted atazanavir remains similar longer term, with jaundice, ocular icterus and nausea in a 96-week analysis of the phase III study [1].
References:
[1] Deeks ED. Cobicistat: a review of its use as a pharmacokinetic enhancer of atazanavir and darunavir in patients with HIV-1 infection. Drugs. 2014 Feb;74(2):195-206.
- Boric acid
Catalog No.:BCC7592
CAS No.:10043-35-3
- Lercanidipine
Catalog No.:BCC5239
CAS No.:100427-26-7
- Danshinspiroketallactone
Catalog No.:BCN3754
CAS No.:100414-80-0
- Sodium Picosulfate
Catalog No.:BCC4845
CAS No.:10040-45-6
- GSK 1562590 hydrochloride
Catalog No.:BCC8010
CAS No.:1003878-07-6
- Calcium chloride dihydrate
Catalog No.:BCC7582
CAS No.:10035-04-8
- Curcumenone
Catalog No.:BCN3008
CAS No.:100347-96-4
- L(+)-Rhamnose monohydrate
Catalog No.:BCN8368
CAS No.:10030-85-0
- Pemirolast potassium
Catalog No.:BCC4532
CAS No.:100299-08-9
- Apiopaeonoside
Catalog No.:BCN2801
CAS No.:100291-86-9
- Irinotecan hydrochloride
Catalog No.:BCN2949
CAS No.:100286-90-6
- TZ9
Catalog No.:BCC5547
CAS No.:1002789-86-7
- Dihydroresveratrol 3-O-glucoside
Catalog No.:BCN5821
CAS No.:100432-87-9
- 1-EBIO
Catalog No.:BCC6904
CAS No.:10045-45-1
- FFN 511
Catalog No.:BCC7799
CAS No.:1004548-96-2
- Rosiridin
Catalog No.:BCN5970
CAS No.:100462-37-1
- Gastrin I (human)
Catalog No.:BCC5958
CAS No.:10047-33-3
- Sterigmatocystin
Catalog No.:BCN6885
CAS No.:10048-13-2
- Blasticidin A
Catalog No.:BCN1830
CAS No.:100513-53-9
- TCS 2002
Catalog No.:BCC6074
CAS No.:1005201-24-0
- Aeruginolactone
Catalog No.:BCN3695
CAS No.:1005208-88-7
- Gelomulide N
Catalog No.:BCN6641
CAS No.:1005212-02-1
- CVT 10216
Catalog No.:BCC5606
CAS No.:1005334-57-5
- LCL161
Catalog No.:BCC1691
CAS No.:1005342-46-0
Structure-activity relationships of diamine inhibitors of cytochrome P450 (CYP) 3A as novel pharmacoenhancers. Part II: P2/P3 region and discovery of cobicistat (GS-9350).[Pubmed:24412072]
Bioorg Med Chem Lett. 2014 Feb 1;24(3):995-9.
The HIV protease inhibitor (PI) ritonavir (RTV) has been widely used as a pharmacoenhancer for other PIs, which are substrates of cytochrome P450 3A (CYP3A). However the potent anti-HIV activity of ritonavir may limit its use as a pharmacoenhancer with other classes of anti-HIV agents. Ritonavir is also associated with limitations such as poor physicochemical properties. To address these issues a series of compounds with replacements at the P2 and/or P3 region was designed and evaluated as novel CYP3A inhibitors. Through these efforts, a potent and selective inhibitor of CYP3A, GS-9350 (cobicistat) with improved physiochemical properties was discovered.
Cobicistat (GS-9350): A Potent and Selective Inhibitor of Human CYP3A as a Novel Pharmacoenhancer.[Pubmed:24900196]
ACS Med Chem Lett. 2010 May 17;1(5):209-13.
Cobicistat (3, GS-9350) is a newly discovered, potent, and selective inhibitor of human cytochrome P450 3A (CYP3A) enzymes. In contrast to ritonavir, 3 is devoid of anti-HIV activity and is thus more suitable for use in boosting anti-HIV drugs without risking selection of potential drug-resistant HIV variants. Compound 3 shows reduced liability for drug interactions and may have potential improvements in tolerability over ritonavir. In addition, 3 has high aqueous solubility and can be readily coformulated with other agents.
