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MedKoo Cat#: 526961 | Name: DPC-961

Description:

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

DPC-961, also known as DMP-961, is a reverse transcriptase inhibitor potentially for the treatment of HIV infection.

Chemical Structure

DPC-961
DPC-961
CAS#214287-88-4

Theoretical Analysis

MedKoo Cat#: 526961

Name: DPC-961

CAS#: 214287-88-4

Chemical Formula: C14H10ClF3N2O

Exact Mass: 314.0434

Molecular Weight: 314.69

Elemental Analysis: C, 53.43; H, 3.20; Cl, 11.26; F, 18.11; N, 8.90; O, 5.08

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 #
No Data
Synonym
DPC-961; DPC 961; DPC961; DMP-961; DMP 961; DMP961.
IUPAC/Chemical Name
(4S)-6-Chloro-4-cyclopropylethynyl-4-trifluoromethyl-3,4-dihydro-1H-quinazolin-2-one
InChi Key
JJWJSIAJLBEMEN-ZDUSSCGKSA-N
InChi Code
InChI=1S/C14H10ClF3N2O/c15-9-3-4-11-10(7-9)13(14(16,17)18,20-12(21)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H2,19,20,21)/t13-/m0/s1
SMILES Code
O=C1NC2=C(C=C(Cl)C=C2)[C@](C(F)(F)F)(C#CC3CC3)N1
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
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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

Preparing Stock Solutions

The following data is based on the product molecular weight 314.69 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
1: Li S, Ma JA. Core-structure-inspired asymmetric addition reactions: enantioselective synthesis of dihydrobenzoxazinone- and dihydroquinazolinone-based anti-HIV agents. Chem Soc Rev. 2015 Nov 7;44(21):7439-48. doi: 10.1039/c5cs00342c. Review. PubMed PMID: 26177889. 2: Otake K, Azukizawa S, Fukui M, Shibabayashi M, Kamemoto H, Miike T, Kunishiro K, Kasai M, Shirahase H. A novel series of (S)-2,7-substituted-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acids: peroxisome proliferator-activated receptor α/γ dual agonists with protein-tyrosine phosphatase 1B inhibitory activity. Chem Pharm Bull (Tokyo). 2011;59(10):1233-42. PubMed PMID: 21963632. 3: Duchowicz PR, Fernández M, Caballero J, Castro EA, Fernández FM. QSAR for non-nucleoside inhibitors of HIV-1 reverse transcriptase. Bioorg Med Chem. 2006 Sep 1;14(17):5876-89. PubMed PMID: 16766190. 4: Magnus NA, Confalone PN, Storace L, Patel M, Wood CC, Davis WP, Parsons RL Jr. General scope of 1,4-diastereoselective additions to a 2(3H)-quinazolinone: practical preparation of HIV therapeutics. J Org Chem. 2003 Feb 7;68(3):754-61. PubMed PMID: 12558396. 5: McCormick TJ, Foley JP, Lloyd DK. Chromatographic performance of large-pore versus small-pore columns in micellar liquid chromatography. J Chromatogr B Analyt Technol Biomed Life Sci. 2003 Feb 25;785(1):1-20. PubMed PMID: 12535834. 6: Aungst BJ, Nguyen NH, Taylor NJ, Bindra DS. Formulation and food effects on the oral absorption of a poorly water soluble, highly permeable antiretroviral agent. J Pharm Sci. 2002 Jun;91(6):1390-5. PubMed PMID: 12115838. 7: Lim ML. DPC-083. DuPont Pharmaceuticals. Curr Opin Investig Drugs. 2001 Sep;2(9):1209-12. Review. PubMed PMID: 11717806. 8: Cocuzza AJ, Chidester DR, Cordova BC, Klabe RM, Jeffrey S, Diamond S, Weigelt CA, Ko SS, Bacheler LT, Erickson-Viitanen SK, Rodgers JD. 4,1-Benzoxazepinone analogues of efavirenz (Sustiva) as HIV-1 reverse transcriptase inhibitors. Bioorg Med Chem Lett. 2001 Jun 4;11(11):1389-92. PubMed PMID: 11378361. 9: Williams RC, Edwards JF, Joshi AS, Aubry AF. Chiral analysis of drug substance in clinical plasma extracts using achiral HPLC with circular dichroism detection. J Pharm Biomed Anal. 2001 Jun;25(3-4):501-9. PubMed PMID: 11377030. 10: Whitson S. Drug watch. Posit Aware. 1999 May-Jun;10(3):16-7. PubMed PMID: 11366758. 11: Gallant JE. New antiretroviral agents. Hopkins HIV Rep. 1999 Mar;11(2):3, 12. PubMed PMID: 11366248. 12: New nonnucleoside reverse transcriptase inhibitors. GMHC Treat Issues. 1999 Feb;13(2):10. PubMed PMID: 11366114. 13: Aubry AF, Sebastian DS, Williams RC, Boucher RJ. Column selection and method development for the determination of the enantiomeric purity of investigational non-nucleoside reverse transcriptase inhibitors. Chirality. 2001 May 5;13(4):193-8. PubMed PMID: 11284024. 14: Parsons RL Jr. Development of commercially viable enantioselective processes for HIV-1 NNRTIs. Curr Opin Drug Discov Devel. 2000 Nov;3(6):783-92. PubMed PMID: 19649906. 15: Mutlib A, Chen H, Shockcor J, Espina R, Chen S, Cao K, Du A, Nemeth G, Prakash S, Gan LS. Characterization of novel glutathione adducts of a non-nucleoside reverse transcriptase inhibitor, (S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-3, 4-dihydro-2(1H)-quinazolinone (DPC 961), in rats. Possible formation of an oxirene metabolic intermediate from a disubstituted alkyne. Chem Res Toxicol. 2000 Aug;13(8):775-84. PubMed PMID: 10956066. 16: Aubry AF, Sebastian D, Hobson T, Xu JQ, Rabel S, Xie M, Gray V. In-use testing of extemporaneously prepared suspensions of second generation non-nucleoside reversed transcriptase inhibitors in support of phase I clinical studies. J Pharm Biomed Anal. 2000 Aug 15;23(2-3):535-42. PubMed PMID: 10933547. 17: Corbett JW, Ko SS, Rodgers JD, Gearhart LA, Magnus NA, Bacheler LT, Diamond S, Jeffrey S, Klabe RM, Cordova BC, Garber S, Logue K, Trainor GL, Anderson PS, Erickson-Viitanen SK. Inhibition of clinically relevant mutant variants of HIV-1 by quinazolinone non-nucleoside reverse transcriptase inhibitors. J Med Chem. 2000 May 18;43(10):2019-30. PubMed PMID: 10821714. 18: Corbett JW, Ko SS, Rodgers JD, Jeffrey S, Bacheler LT, Klabe RM, Diamond S, Lai CM, Rabel SR, Saye JA, Adams SP, Trainor GL, Anderson PS, Erickson-Viitanen SK. Expanded-spectrum nonnucleoside reverse transcriptase inhibitors inhibit clinically relevant mutant variants of human immunodeficiency virus type 1. Antimicrob Agents Chemother. 1999 Dec;43(12):2893-7. PubMed PMID: 10582878; PubMed Central PMCID: PMC89583.

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