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

MedKoo Cat#: 413475 | Name: Darunavir dihydrate

Description:

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

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

Chemical Structure

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:

Molecular Weight: 583.69

Elemental Analysis: C, 55.56; H, 7.08; N, 7.20; O, 24.67; S, 5.49

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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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

Instruction

View handling instruction

	Solvent	mg/mL	mM
Solubility
	To be determined	0.0	100.00

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

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.

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

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.