A 70450

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

MedKoo CAT#: 571193

CAS#: 142928-23-2

Description: A 70450 is an inhibitor of aspartyl proteinase. It can be used as an antifungal agent and may have a role in HIV protease inhibition therapy.


Price and Availability

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A 70450 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 571193
Name: A 70450
CAS#: 142928-23-2
Chemical Formula: C19H39ClN2O2
Exact Mass: 362.27
Molecular Weight: 362.98
Elemental Analysis: C, 62.87; H, 10.83; Cl, 9.77; N, 7.72; O, 8.82


Synonym: A 70450; A-70450; A70450

IUPAC/Chemical Name: Cyclohexanehexanamide, delta-amino-N-butyl-gamma-hydroxy-alpha-(1-methylethyl)-, monohydrochloride, (alphaR-(alphaR*,gammaS*,deltaS*))-

InChi Key: OSCAGQDAAPBGKK-PWGAQZMISA-N

InChi Code: InChI=1S/C19H38N2O2.ClH/c1-4-5-11-21-19(23)16(14(2)3)13-18(22)17(20)12-15-9-7-6-8-10-15;/h14-18,22H,4-13,20H2,1-3H3,(H,21,23);1H/t16-,17+,18+;/m1./s1

SMILES Code: O=C(NCCCC)[C@@H](C(C)C)C[C@H](O)[C@@H](N)CC1CCCCC1.[H]Cl


Technical Data

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).

Harmonized System Code:
293490


References

1: Stewart K, Abad-Zapatero C. Candida proteases and their inhibition: prospects for antifungal therapy. Curr Med Chem. 2001 Jul;8(8):941-8. Review. PubMed PMID: 11375761.

2: Pranav Kumar SK, Kulkarni VM. Insights into the selective inhibition of Candida albicans secreted aspartyl protease: a docking analysis study. Bioorg Med Chem. 2002 Apr;10(4):1153-70. PubMed PMID: 11836127.

3: Cutfield SM, Dodson EJ, Anderson BF, Moody PC, Marshall CJ, Sullivan PA, Cutfield JF. The crystal structure of a major secreted aspartic proteinase from Candida albicans in complexes with two inhibitors. Structure. 1995 Nov 15;3(11):1261-71. PubMed PMID: 8591036.

4: Abad-Zapatero C, Goldman R, Muchmore SW, Hutchins C, Oie T, Stewart K, Cutfield SM, Cutfield JF, Foundling SI, Ray TL. Structure of secreted aspartic proteinases from Candida. Implications for the design of antifungal agents. Adv Exp Med Biol. 1998;436:297-313. Review. PubMed PMID: 9561233.

5: Lerner CG, Goldman RC. Stimuli that induce production of Candida albicans extracellular aspartyl proteinase. J Gen Microbiol. 1993 Jul;139(7):1643-51. PubMed PMID: 7690395.

6: Cutfield S, Marshall C, Moody P, Sullivan P, Cutfield J. Crystallization of inhibited aspartic proteinase from Candida albicans. J Mol Biol. 1993 Dec 20;234(4):1266-9. PubMed PMID: 8263928.