Darunavir dihydrate

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 413475

CAS#: 2281870-65-1 (dihydrate)

Description: Darunavir dihydrate is an antiretroviral medication used to treat and prevent HIV/AIDS.


Chemical Structure

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Darunavir dihydrate
CAS# 2281870-65-1 (dihydrate)

Theoretical Analysis

MedKoo Cat#: 413475
Name: Darunavir dihydrate
CAS#: 2281870-65-1 (dihydrate)
Chemical Formula: C27H41N3O9S
Exact Mass: 0.00
Molecular Weight: 583.690
Elemental Analysis: C, 55.56; H, 7.08; N, 7.20; O, 24.67; S, 5.49

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Related CAS #: 2281870-65-1 (dihydrate)   635728-49-3 (ethanolate)   206361-99-1 (free)  

Synonym: Darunavir dihydrate; TMC114 hydrate; TMC 114 hydrate; TMC-114 hydrate

IUPAC/Chemical Name: Carbamic acid, N-((1S,2R)-3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-, (3R,3aS,6aR)-hexahydrofuro(2,3-b)furan-3-yl ester, hydrate (1:2)

InChi Key: QBRFTVBGMDIHGZ-OCMLJPQKSA-N

InChi Code: InChI=1S/C27H37N3O7S.2H2O/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26;;/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32);2*1H2/t22-,23-,24+,25-,26+;;/m0../s1

SMILES Code: O=C(O[C@@H]1[C@@]2([H])[C@@](OCC2)([H])OC1)N[C@@H](CC3=CC=CC=C3)[C@H](O)CN(S(=O)(C4=CC=C(N)C=C4)=O)CC(C)C.[H]O[H].[H]O[H]

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: to be determined

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
To be determined 0.0 100.00

Preparing Stock Solutions

The following data is based on the product molecular weight 583.69 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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 1: Kakuda TN, Brochot A, Tomaka FL, Vangeneugden T, Van De Casteele T, Hoetelmans RM. Pharmacokinetics and pharmacodynamics of boosted once-daily darunavir. J Antimicrob Chemother. 2014 Jun 20. pii: dku193. [Epub ahead of print] Review. PubMed PMID: 24951533.

2: Afonina LIu, Voronin EE. [Use of darunavir in HIV-infected women during pregnancy]. Ter Arkh. 2013;85(11):109-14. Review. Russian. PubMed PMID: 24432610.

3: Llibre JM, Imaz A, Clotet B. From TMC114 to darunavir: five years of data on efficacy. AIDS Rev. 2013 Apr-Jun;15(2):112-21. Review. PubMed PMID: 23708741.

4: Lorber M. A case of possible darunavir/ritonavir-induced peripheral neuropathy: case description and review of the literature. J Int Assoc Provid AIDS Care. 2013 May-Jun;12(3):162-5. doi: 10.1177/2325957412471993. Epub 2013 Mar 8. Review. PubMed PMID: 23475910.

5: Overton ET, Arathoon E, Baraldi E, Tomaka F. Effect of darunavir on lipid profile in HIV-infected patients. HIV Clin Trials. 2012 Sep-Oct;13(5):256-70. doi: 10.1310/hct1305-256. Review. PubMed PMID: 23134626.

6: Ruela Corrêa JC, D'Arcy DM, dos Reis Serra CH, Nunes Salgado HR. Darunavir: a critical review of its properties, use and drug interactions. Pharmacology. 2012;90(1-2):102-9. doi: 10.1159/000339862. Epub 2012 Jul 12. Review. PubMed PMID: 22797653.

7: Robertson J, Feinberg J. Darunavir : a nonpeptidic protease inhibitor for antiretroviral-naive and treatment-experienced adults with HIV infection. Expert Opin Pharmacother. 2012 Jun;13(9):1363-75. doi: 10.1517/14656566.2012.681776. Epub 2012 May 17. Review. PubMed PMID: 22594781.

8: Phung BC, Yeni P. Darunavir: an effective protease inhibitor for HIV-infected patients. Expert Rev Anti Infect Ther. 2011 Jun;9(6):631-43. doi: 10.1586/eri.11.48. Review. PubMed PMID: 21692667.

9: Fullerton DS, Smets E, De La Rosa G, Mrus JM. Pharmacoeconomics of darunavir. Expert Rev Pharmacoecon Outcomes Res. 2011 Feb;11(1):27-39. doi: 10.1586/erp.10.88. Review. PubMed PMID: 21351854.

10: Dobroszycki J, Abadi J, Wiznia AA, Rosenberg MG. Profile of darunavir in the treatment of HIV-infected pediatric and adolescent patients. Adolesc Health Med Ther. 2011 Sep 14;2:85-93. doi: 10.2147/AHMT.S11177. eCollection 2011. Review. PubMed PMID: 24600277; PubMed Central PMCID: PMC3926773.